SCHEMBL5651696

SCHEMBL5651696

C=Cc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 8/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL26247169 0.87 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22481046 0.82 TSHR (0.52) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8229657 0.82 TSHR (0.46) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5648725 0.81 TSHR (0.58) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16956895 0.81 TSHR (0.46) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL305927 0.81 ALDH1A1 (0.44) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL305926 0.81 ALDH1A1 (0.44) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29959661 0.80 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14933431 0.80 TSHR (0.56) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL307312 0.80 TSHR (0.70) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
CN-1286815-C 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2006-11-29 CN disclosed
US-20060173034-A1 Novel 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2006-08-03 US disclosed
US-7037925-B2 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2006-05-02 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
US-20040248923-A1 Novel 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2004-12-09 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed
CN-1507434-A Novel 4-anilinoquinoline-3-carboxamides 2004-06-23 CN disclosed
EP-1387830-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES AstraZeneca AB (SE) 2004-02-11 EP disclosed
WO-2002092571-A1 NOVEL 4-ANILINOQUINOLINE-3-CARBOXAMIDES ASTRAZENECA AB (SE) 2002-11-21 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 (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-20040248923-A1 Novel 4-anilinoquinoline-3-carboxamides JAK3, JAK2, JAK1 TSHR 2999/4885SMN1; SMN2 4092/4885MEN1 3698/4885
US-20060173034-A1 Novel 4-anilinoquinoline-3-carboxamides JAK3, JAK2, JAK1 TSHR 2556/4885SMN1; SMN2 4300/4885MEN1 3584/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR TSHR 162/4885SMN1; SMN2 3577/4885MEN1 360/4885

“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.