SCHEMBL4912489

SCHEMBL4912489

O=C=Nc1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
BCL2L1 Q07817 1/20 0.43
CA2 P00918 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SLC9A1 P19634 1/20 0.40
MGLL Q99685 1/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40

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
SCHEMBL9811930 0.81 CYP2A6 (0.40) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL29610590 0.81 CYP2A6 (0.40) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL15543762 0.75
SCHEMBL9396821 0.74 CYP2A6 (0.44) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL2494057 0.74 CYP2A6 (0.44) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL10514091 0.73 CYP2A6 (0.53) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL6539418 0.71 BCL2L1 (0.48) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL1259272 0.70 SLC9A1 (0.53) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL56334 0.69 CYP2A6 (0.48) CYP2A6BCL2L1CA2HDAC3HDAC4
SCHEMBL10984367 0.67 CYP2A6 (0.46) CYP2A6BCL2L1CA2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
EP-1786422-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY Prosidion Limited (GB) 2007-05-23 EP disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 WO disclosed
US-5106843-A Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 US disclosed
EP-0361629-A2 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1990-04-04 EP disclosed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 EP disclosed
US-4069231-A ANIMAL GROWTH REGULATORS, HERBICIDES AMERICAN CYANAMID COMPANY (US) 1978-01-17 US disclosed
US-3944567-A ANIMAL GROWTH REGULATOR, HERBICIDE AMERICAN CYANAMID COMPANY (US) 1976-03-16 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 (2 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-20080261952-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R CYP2A6 517/4885BCL2L1 2156/4885CA2 3914/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R CYP2A6 517/4885BCL2L1 2156/4885CA2 3914/4885

“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.