SCHEMBL4830004

SCHEMBL4830004

Cc1cc(Nc2cc(C(F)(F)F)ccc2OCC2CO2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAK O14976 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NCF1 P14598 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.40
HTT P42858 2/20 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
SCHEMBL4829994 0.82 TSHR (0.49) TSHRTP53LMNAGAAKMT2A
SCHEMBL14279589 0.82 TSHR (0.49) TSHRTP53LMNAGAAKMT2A
SCHEMBL14288579 0.76 TSHR (0.65) TSHRTP53LMNAGAAKMT2A
SCHEMBL4828042 0.75 KMT2A (0.41) TSHRTP53LMNAGAAKMT2A
SCHEMBL4222171 0.71 TSHR (0.78) TSHRKMT2AALDH1A1MEN1KDM4E
SCHEMBL909614 0.69 HTR2C (0.60) KMT2AALDH1A1MEN1GLA
SCHEMBL909662 0.69 HTR2C (0.60) KMT2AALDH1A1MEN1GLA
SCHEMBL909615 0.69 HTR2C (0.60) KMT2AALDH1A1MEN1GLA
SCHEMBL909731 0.67 TSHR (0.47) TSHRTP53KMT2AALDH1A1MEN1
SCHEMBL2892222 0.67 MRGPRX4 (0.48) TSHRTP53KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885TP53 2563/4885LMNA 3004/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885TP53 2563/4885LMNA 3004/4885

“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.