SCHEMBL3146362

SCHEMBL3146362

CC(C)N(Cc1ccc(N)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 3/20 0.44
GFER P55789 2/20 0.44
TSHR P16473 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
PYCR1 P32322 1/20 0.39
LMNA P02545 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
RECQL P46063 2/20 0.37
MAPK1 P28482 2/20 0.37
PSMD14 O00487 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL26267232 0.88 HDAC1 (0.59) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL6704695 0.83 TAAR1 (0.50) HDAC1HDAC8HDAC6TDP1ALDH1A1
SCHEMBL629059 0.82 MAPT (0.47) HDAC6MAPTTDP1ALDH1A1CYP3A4
SCHEMBL5204980 0.80 MAPT (0.46) MAPTTDP1ALDH1A1CYP3A4GFER
SCHEMBL8252038 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6MAPTTDP1
SCHEMBL819942 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6MAPTTDP1
Hydrochloric Acid SCHEMBL7686123 0.78 ACHE (0.38) HDAC1HDAC8HDAC6MAPTTDP1
SCHEMBL1639815 0.77 HDAC1 (0.55) HDAC1HDAC8HDAC6TDP1ALDH1A1
SCHEMBL2483550 0.77 HDAC1 (0.55) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL6613504 0.77 PYCR1 (0.43) MAPTTDP1ALDH1A1CYP3A4GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP 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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US 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
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 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 (1 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HDAC1 3369/4885HDAC8 4479/4885HDAC6 3478/4885

“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.