Sugi Predict

Sugi Predict / Compounds / SCHEMBL2113707

SCHEMBL2113707

SCHEMBL2113707

O=CCCCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ HIF1A Q16665 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ MAPT P10636 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ THPO P40225 2/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ GMNN O75496 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ GABRA1 P14867 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ GABRA2 P47869 1/20 0.60
▸ GABRB2 P47870 1/20 0.60
▸ SLCO1B3 Q9NPD5 1/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.56
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ NCOR1 O75376 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL2115804 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL6382031 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL4266391 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL3778866 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL2114474 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL6382023 0.76 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL17806416 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
Hydrochloric Acid SCHEMBL28679486 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL8952467 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL7470724 0.75 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273607-A1 METHODS OF USING MODIFIED CYTOTOXINS TO TREAT CANCER NORTHWESTERN UNIVERSITY (US) 2022-09-01 — — US disclosed
US-20210047338-A1 MODIFIED CYTOTOXINS AND THEIR THERAPEUTIC USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-18 — — US disclosed
US-10654864-B2 Modified cytotoxins and their therapeutic use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-19 — — US disclosed
US-20180222915-A1 MODIFIED CYTOTOXINS AND THEIR THERAPEUTIC USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 — — US disclosed
US-10023581-B2 Modified cytotoxins and their therapeutic use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 — — US disclosed
US-20170080094-A1 MODIFIED CYTOTOXINS AND THEIR THERAPEUTIC USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-23 — — US disclosed
US-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 — — US disclosed
US-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 — — US disclosed
US-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 — — US disclosed
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 — — US disclosed
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 — — US disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 — — US disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 — — US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 — — US disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 — — US disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 — — EP disclosed
WO-1998034945-A1 TARGETED MODIFICATION OF THE CCR-5 GENE EPOCH PHARMACEUTICALS, INC. (US) 1998-08-13 — — WO 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 (7 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-10023581-B2 Modified cytotoxins and their therapeutic use ANXA5, TP53, FABP1 ALDH1A1 2908/4885SMN1; SMN2 1738/4885HIF1A 1790/4885
US-20180222915-A1 MODIFIED CYTOTOXINS AND THEIR THERAPEUTIC USE ANXA5, TP53, FABP1 ALDH1A1 2908/4885SMN1; SMN2 1738/4885HIF1A 1790/4885
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF CD22, UGGT1, UGCG ALDH1A1 296/4885SMN1; SMN2 4582/4885HIF1A 721/4885
US-20220273607-A1 METHODS OF USING MODIFIED CYTOTOXINS TO TREAT CANCER SLC47A2, SLC27A2, SLC27A1 ALDH1A1 1761/4885SMN1; SMN2 2286/4885HIF1A 1219/4885
US-20210047338-A1 MODIFIED CYTOTOXINS AND THEIR THERAPEUTIC USE ANXA5, TP53, FABP1 ALDH1A1 2908/4885SMN1; SMN2 1738/4885HIF1A 1790/4885
US-20170080094-A1 MODIFIED CYTOTOXINS AND THEIR THERAPEUTIC USE ANXA5, TP53, FABP1 ALDH1A1 2908/4885SMN1; SMN2 1738/4885HIF1A 1790/4885
US-10654864-B2 Modified cytotoxins and their therapeutic use ANXA5, TP53, FABP1 ALDH1A1 2908/4885SMN1; SMN2 1738/4885HIF1A 1790/4885

“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.