SCHEMBL4049587

SCHEMBL4049587

Oc1ccc(-c2n[c]c[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 3/20 0.41
PKM P14618 2/20 0.41
ALOX12 P18054 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
NFKB1 P19838 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP3 P08254 1/20 0.34

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
SCHEMBL28536156 0.79 NISCH (0.47) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL4047558 0.79 DGAT1 (0.37) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL28536153 0.79 APP (0.46) ALDH1A1HPGDGAAESR2MAPT
SCHEMBL403894 0.78 MTOR (0.43) ALDH1A1GAAMAPTMEN1NPC1
SCHEMBL4041568 0.77 HSD17B1 (0.47) ALDH1A1GAAESR1ESR2MAPT
SCHEMBL28530205 0.75 MAPT (0.42) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL1119442 0.75 GFER (0.46) NPC1RAB9APOLBTNKSPARP1
SCHEMBL28527366 0.75 KDM4E (0.46) ALDH1A1HPGDGAAPKMAPOBEC3G
SCHEMBL6523713 0.72 SCN2A (0.33) NPC1RAB9APOLBKDM4E
SCHEMBL2651782 0.72 DRD1 (0.42) ALDH1A1HPGDGAAPKMMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396505-A Methods of treating inflammation 维鲁公司 2024-01-12 CN disclosed
CN-115379835-A Methods of treating coronavirus 维鲁公司 2022-11-22 CN disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
US-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-11-15 US disclosed
US-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
CN-102883607-A Compounds for the treatment of cancer GTX INC (US) 2013-01-16 CN disclosed
EP-2542081-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-01-09 EP disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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 (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-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 ALDH1A1 2177/4885HPGD 3524/4885GAA 3517/4885
US-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ALDH1A1 2656/4885HPGD 669/4885GAA 1411/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 ALDH1A1 2177/4885HPGD 3524/4885GAA 3517/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ALDH1A1 2382/4885HPGD 691/4885GAA 1654/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ALDH1A1 209/4885HPGD 522/4885GAA 1027/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885HPGD 522/4885GAA 1027/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885HPGD 522/4885GAA 1027/4885

“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.