SCHEMBL7345284

SCHEMBL7345284

COc1cc([N+](=O)[O-])ccc1CN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.59
ALDH1A1 P00352 5/20 0.58
HTT P42858 2/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2D6 P10635 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3171647 0.99 KCNJ1 (0.58) KCNJ1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL2073757 0.89 KCNJ1 (0.57) KCNJ1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL4269241 0.88 KCNJ1 (0.74) KCNJ1ALDH1A1HTTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7564284 0.88 KCNJ1 (0.58) KCNJ1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL14386708 0.86 KMT2A (0.52) KCNJ1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5388591 0.84 ALDH1A1 (0.54) KCNJ1ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL21412829 0.84 CA12 (0.56) KCNJ1ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL9609632 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11192692 0.81 LMNA (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4162538 0.79 HTT (0.64) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-7981880-B2 3-(aminomethyliden) 2-indolinone derivates and their use as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
WO-2007122219-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATIVES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-01 WO disclosed
EP-0997460-B1 Benzothiophene compounds as antithrombotic agents and intermediates LILLY CO ELI (US) 2002-12-11 EP disclosed
US-6133262-A 3-AMINOBENZO(B)THIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
EP-0997460-A1 Benzothiophene compounds as antithrombotic agents and intermediates ELI LILLY AND COMPANY (US) 2000-05-03 EP 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 (4 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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 KCNJ1 2849/4885ALDH1A1 243/4885HTT 706/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 KCNJ1 2849/4885ALDH1A1 243/4885HTT 706/4885
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KCNJ1 2565/4885ALDH1A1 668/4885HTT 181/4885
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS MKI67, CCNI, CCNA1 KCNJ1 2421/4885ALDH1A1 170/4885HTT 2470/4885

“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.