SCHEMBL3471999

SCHEMBL3471999

Cc1cc(N)c2cc(OCCOc3ccc4nc(C)cc(N)c4c3)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
HSD17B10 Q99714 2/20 1.00
CASP1 P29466 1/20 1.00
CASP7 P55210 1/20 1.00
NCF1 P14598 4/20 0.53
DOT1L Q8TEK3 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
ALOX15 P16050 1/20 0.49
BLM P54132 1/20 0.49
GNG2 P59768 1/20 0.49
GNB1 P62873 1/20 0.49
KMT2A Q03164 1/20 0.49
TERT O14746 3/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL439655 0.89 ALDH1A1 (0.80) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL437286 0.83 HSD17B10 (0.71) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL4748820 0.79 ALDH1A1 (0.66) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL27906713 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL439264 0.78 HSD17B10 (0.64) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL27890180 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL438604 0.75 NCF1 (0.63) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL3235863 0.75 NCF1 (0.63) ALDH1A1HSD17B10CASP1CASP7NCF1
Hydrochloric Acid SCHEMBL30579056 0.74 NCF1 (0.61) ALDH1A1HSD17B10CASP1CASP7NCF1
SCHEMBL439542 0.73 ALDH1A1 (0.58) ALDH1A1HSD17B10CASP1CASP7NCF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-12-19 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-8278342-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-02 US disclosed
US-8278342-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-02 US disclosed
US-8278342-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-02 US disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
WO-2009008906-A2 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-01-15 WO disclosed
US-20080020973-A1 Assays for identification of topoisomerase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2008-01-24 US disclosed
US-20080020973-A1 Assays for identification of topoisomerase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2008-01-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM ALDH1A1 4558/4885HSD17B10 3605/4885CASP1 2297/4885
US-20080020973-A1 Assays for identification of topoisomerase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 3092/4885HSD17B10 810/4885CASP1 2507/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM ALDH1A1 4558/4885HSD17B10 3605/4885CASP1 2297/4885
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM ALDH1A1 4558/4885HSD17B10 3605/4885CASP1 2297/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.