SCHEMBL10121182

SCHEMBL10121182

CC(C)Oc1ccc(N(C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MCL1 Q07820 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A3 P47895 1/20 0.45
KMT2A Q03164 2/20 0.44
PARP10 Q53GL7 1/20 0.42
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KDR P35968 1/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL13154968 0.82 ALDH1A1 (0.62) LMNAALDH1A1KDM4ETP53MAPT
SCHEMBL14593916 0.80 SLC2A1 (0.53) ALDH1A1KDM4ETP53MAPTHSD17B10
SCHEMBL20226528 0.78 LMNA (0.46) LMNAALDH1A1KDM4ETP53MAPT
SCHEMBL125543 0.78 ALDH1A3 (0.64) LMNAALDH1A1TP53ALDH1A3KMT2A
SCHEMBL12369341 0.76 RXRA (0.41) ALDH1A1KDM4EKMT2AGAA
SCHEMBL18782830 0.75 ALDH1A3 (0.47) LMNAALDH1A1KDM4ETP53MAPT
SCHEMBL17854032 0.75 ALDH1A1 (0.44) LMNAALDH1A1KDM4ETP53MAPT
SCHEMBL19002846 0.75 NQO1 (0.56) LMNAALDH1A1KDM4ETP53MAPT
SCHEMBL15148197 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ETP53MAPTHSD17B10
SCHEMBL21340775 0.74 SLC6A4 (0.45) ALDH1A1MAPTTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-08-12 US disclosed
US-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-12-08 US disclosed
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-08-13 US disclosed
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-06-23 US disclosed
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-09-12 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8242156-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (13 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885ALDH1A1 201/4885KDM4E 553/4885
US-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents RB1, RRM2, RRM2B LMNA 3789/4885ALDH1A1 606/4885KDM4E 3029/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885ALDH1A1 201/4885KDM4E 553/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885ALDH1A1 365/4885KDM4E 1193/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885ALDH1A1 201/4885KDM4E 553/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 LMNA 2724/4885ALDH1A1 287/4885KDM4E 571/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L LMNA 2786/4885ALDH1A1 132/4885KDM4E 437/4885
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents RB1, RRM2, RRM2B LMNA 3789/4885ALDH1A1 606/4885KDM4E 3029/4885
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DPYD, TP53, TYMP LMNA 4282/4885ALDH1A1 620/4885KDM4E 3080/4885
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DPYD, TP53, TYMP LMNA 4282/4885ALDH1A1 620/4885KDM4E 3080/4885
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents RB1, RRM2, RRM2B LMNA 3789/4885ALDH1A1 606/4885KDM4E 3029/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885ALDH1A1 201/4885KDM4E 553/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885ALDH1A1 201/4885KDM4E 553/4885

“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.