SCHEMBL3153190

SCHEMBL3153190

COc1ccc(CCN(C)Cc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 2/20 0.67
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KCNH2 Q12809 2/20 0.61
BLM P54132 3/20 0.61
PMP22 Q01453 1/20 0.61
THRB P10828 1/20 0.60
APEX1 P27695 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP2C9 P11712 1/20 0.56
ACHE P22303 2/20 0.55
MAPT P10636 1/20 0.54
AOC3 Q16853 1/20 0.52

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
SCHEMBL3143902 0.89 ACHE (0.65) CDC25CSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8789302 0.89 ACHE (0.66) CDC25CKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL3158326 0.89 CDC25C (0.65) CDC25CKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL21774705 0.87 CDC25C (0.54) CDC25CKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL6573083 0.84 KCNH2 (0.76) CDC25CSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL8789624 0.83 KCNH2 (0.71) CDC25CKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL3143117 0.83 KCNH2 (0.64) CDC25CMEN1KMT2AALDH1A1KCNH2
SCHEMBL8791287 0.82 KCNH2 (0.70) CDC25CKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL10390463 0.81 KDM4E (0.80) KDM4ESMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL8790512 0.81 KCNH2 (0.57) CDC25CSMN1; SMN2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CDC25C 1380/4885KDM4E 1755/4885SMN1; SMN2 4517/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 CDC25C 1380/4885KDM4E 1755/4885SMN1; SMN2 4517/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CDC25C 1380/4885KDM4E 1755/4885SMN1; SMN2 4517/4885

“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.