SCHEMBL4852469

SCHEMBL4852469

O=C(CCCCCl)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.66
CTNNB1 P35222 5/20 0.64
WNT3A P56704 5/20 0.64
GABRA1 P14867 1/20 0.58
GABRB2 P47870 1/20 0.58
GPR84 Q9NQS5 1/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.53
PBRM1 Q86U86 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52

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
SCHEMBL8557156 0.95 ADAM17 (0.68) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL9048121 0.89 ADAM17 (0.71) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL12838313 0.86 ADAM17 (0.68) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL1563151 0.85 GABRA1 (0.74) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL5981843 0.85 ADAM17 (0.66) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL3717752 0.84 ADAM17 (0.68) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL8959866 0.84 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8960008 0.84 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8959628 0.84 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL8077164 0.84 GABRA1 (0.72) ADAM17CTNNB1WNT3AGABRA1GABRB2

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
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
EP-2739144-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Alzheimer's Institute of America, Inc. (US) 2014-06-11 EP disclosed
WO-2012177782-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 WO disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ADAM17 407/4885CTNNB1 2598/4885WNT3A 3076/4885
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 ADAM17 3711/4885CTNNB1 3068/4885WNT3A 1518/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ADAM17 407/4885CTNNB1 2598/4885WNT3A 3076/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE ADAM17 438/4885CTNNB1 4153/4885WNT3A 4058/4885

“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.