SCHEMBL13416260

SCHEMBL13416260

CCCCOC(=O)c1ccno1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 5/20 0.49
▸ ESR1 P03372 5/20 0.49
▸ CYP1A2 P05177 4/20 0.49
▸ CYP2C19 P33261 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ RNASEL Q05823 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HPGD P15428 1/20 0.43

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
SCHEMBL916156 0.83 HDAC4 (0.50) TSHRLMNAESR1CYP1A2CYP2C19
SCHEMBL448074 0.78 TSHR (0.59) TSHRL3MBTL1TDP1LMNAESR1
SCHEMBL27908114 0.75 CYP1A2 (0.47) TSHRL3MBTL1TDP1LMNAESR1
SCHEMBL28424839 0.75 TSHR (0.56) TSHRL3MBTL1TDP1LMNAESR1
SCHEMBL28061402 0.74 SOAT1 (0.44) TSHRTDP1LMNACYP1A2CYP2C19
SCHEMBL28433114 0.73 HDAC4 (0.59) TSHRL3MBTL1TDP1LMNAESR1
SCHEMBL4066379 0.73 — —
SCHEMBL27334972 0.73 TSHR (0.46) TSHRL3MBTL1TDP1LMNAESR1
SCHEMBL18154629 0.73 TSHR (0.61) TSHRL3MBTL1TDP1LMNAESR1
SCHEMBL136240 0.72 TDP1 (0.56) TSHRL3MBTL1TDP1LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662024-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2015-05-27 — — CN disclosed
CN-102884063-A Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV 2013-01-16 — — CN disclosed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 — — US disclosed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 — — US disclosed
CN-1046332-A New compound BEECHAM GROUP PLC (GB) 1990-10-24 — — CN 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 (1 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-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 TSHR 3342/4885L3MBTL1 1295/4885TDP1 1036/4885

“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.

Send feedback