SCHEMBL2185903

SCHEMBL2185903

COn1c(=O)c(=O)n(OC)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
GLA P06280 1/20 0.57
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL1054636 0.75 SMN1; SMN2 (0.58) SMN1; SMN2GLAKMT2AMEN1LMNA
SCHEMBL6172365 0.72 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL1408375 0.72 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1050540 0.72 CA12 (0.57) SMN1; SMN2GLAKMT2AMEN1LMNA
SCHEMBL15535424 0.70 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPKMALDH1A1TSHR
SCHEMBL15798127 0.70 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
Hydrochloric Acid SCHEMBL2550119 0.70 SMN1; SMN2 (0.51) SMN1; SMN2GLAKMT2AMEN1ALDH1A1
SCHEMBL9431358 0.69 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ALMNAPKMALDH1A1
SCHEMBL22672846 0.68 SMN1; SMN2 (0.50) SMN1; SMN2GLAKMT2AMEN1ALDH1A1
SCHEMBL10901769 0.68 SMN1; SMN2 (0.51) SMN1; SMN2GLAKMT2AMEN1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949980-B2 Drugs to prevent HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-04-24 US disclosed
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-9066951-B2 Drugs to treat HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 US disclosed
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-07-07 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 (2 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-20110165220-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A SMN1; SMN2 3894/4885GLA 1582/4885KMT2A 400/4885
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A SMN1; SMN2 3894/4885GLA 1582/4885KMT2A 400/4885

“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.