SCHEMBL2886975

SCHEMBL2886975

Cc1ccc(NC(=O)O)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL2556808 0.86 SMN1; SMN2 (0.57) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL31094956 0.86 SMN1; SMN2 (0.57) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL8796471 0.84 ALDH1A1 (0.63) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL850626 0.83 SMN1; SMN2 (0.52) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL9300058 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL4768290 0.82 KMT2A (0.53) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL3012871 0.81 POLB (0.70) ALDH1A1MAPTGAARAB9ANPC1
SCHEMBL17509872 0.80 POLB (0.59) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL22719741 0.80 TGM2 (0.59) ALDH1A1KDM4EMAPTGAARAB9A
SCHEMBL1242327 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAARAB9A

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
EP-4073057-B1 NEW FYN AND VEGFR2 KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2023-11-29 EP disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
US-20230061118-A1 NEW FYN AND VEGFR2 KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2023-03-02 US disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP disclosed
WO-2021116005-A1 NEW FYN AND VEGFR2 KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2021-06-17 WO disclosed
WO-2021115560-A1 NEW FYN AND VEGFR2 KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2021-06-17 WO disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MSD K.K. (JP) 2010-08-05 US disclosed
CN-101707863-A protein kinase inhibitors and methods for using thereof IRM LLC 2010-05-12 CN disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
EP-2023933-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 EP disclosed
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 WO disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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 (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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ALDH1A1 715/4885KDM4E 3918/4885MAPT 4428/4885
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 ALDH1A1 4164/4885KDM4E 1934/4885MAPT 849/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ALDH1A1 148/4885KDM4E 3538/4885MAPT 1839/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA ALDH1A1 148/4885KDM4E 3538/4885MAPT 1839/4885
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA ALDH1A1 1234/4885KDM4E 3498/4885MAPT 4695/4885
US-20230061118-A1 NEW FYN AND VEGFR2 KINASE INHIBITORS FYN, SRC, PTK2B ALDH1A1 3582/4885KDM4E 2243/4885MAPT 678/4885
US-20100197688-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 ALDH1A1 1835/4885KDM4E 920/4885MAPT 349/4885

“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.