SCHEMBL1394643

SCHEMBL1394643

Brc1ccc2[nH]c3c(c2c1)CCCc1ccccc1-3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 1.00
CCNB2 O95067 9/20 1.00
CCNB1 P14635 9/20 1.00
CCNB3 Q8WWL7 9/20 1.00
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 2/20 0.62
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
GSK3B P49841 9/20 0.53
CDK5 Q00535 4/20 0.53
CDK5R1 Q15078 4/20 0.53
CYP2D6 P10635 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL12249832 0.92 CDK1 (0.84) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL15759621 0.84 CDK1 (0.72) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL1394921 0.84 CCNB2 (0.71) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL1987531 0.80 CCNB2 (0.67) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL15451583 0.80 CDK1 (0.67) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL4552964 0.77 CDK1 (0.62) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL16433455 0.77 LMNA (0.68) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL31721163 0.77 LMNA (1.00) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL2360729 0.77 LMNA (1.00) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL21474134 0.75 CA1 (0.67) CDK1CCNB2CCNB1CCNB3MAPT

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
EP-2825637-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE Children's Medical Center Corporation (US) 2015-01-21 EP claimed
WO-2013138623-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-09-19 WO claimed
US-20180112182-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-04-26 US disclosed
US-9771560-B2 High-throughput image-based chemical screening in zebrafish blastomere cell culture CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-26 US disclosed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
US-20150147807-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE HOWARD HUGHES MEDICAL INSTITUTE 2015-05-28 US disclosed
EP-2825637-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE Children's Medical Center Corporation (US) 2015-01-21 EP disclosed
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 WO disclosed
WO-2013138623-A1 HIGH-THROUGHPUT IMAGE-BASED CHEMICAL SCREENING IN ZEBRAFISH BLASTOMERE CELL CULTURE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2013-09-19 WO disclosed
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 US disclosed
WO-2010048273-A2 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-29 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-7232814-B2 Use of paullone derivatives for making medicines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-06-19 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM CDK1 1998/4885CCNB2 2667/4885CCNB1 2331/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA CDK1 2055/4885CCNB2 2803/4885CCNB1 2776/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN CDK1 3289/4885CCNB2 4196/4885CCNB1 3966/4885

“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.