SCHEMBL3679701

SCHEMBL3679701

O=C1C=CC(O)(c2nc3ccccc3o2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GAA P10253 6/20 0.40
LMNA P02545 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 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
SCHEMBL3728929 0.71 RAB9A (0.50) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL2483724 0.70 CHRM2 (0.48) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3677914 0.67 CHRM2 (0.44) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3674220 0.67 KDM4E (0.46) GAARAB9ANPC1ALDH1A1KDM4E
SCHEMBL2874680 0.67 NPC1 (0.56) MAPTLMNACYP2C9CYP2C19RAB9A
SCHEMBL3673681 0.66 MGAM (0.44) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL3104444 0.66 CHRM2 (0.43) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL3674004 0.65 POLB (0.44) MAPTGAALMNACYP2C9RAB9A
SCHEMBL17951858 0.64 FAAH (0.54) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL29531707 0.64 NPC1 (0.69) MAPTCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 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 (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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN MAPT 4098/4885CHRM2 3005/4885CHRM4 3618/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 MAPT 3833/4885CHRM2 4068/4885CHRM4 4457/4885

“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.