SCHEMBL7246231

SCHEMBL7246231

OC(c1cccnc1)c1ccc(C(O)c2cccnc2)s1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.63
GAA P10253 1/20 0.53
CYP17A1 P05093 1/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 1/20 0.40
KCNA5 P22460 3/20 0.39
KCNN4 O15554 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL29408024 0.84 SMN1; SMN2 (0.58) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL11071952 0.84 TSHR (0.54) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL1242879 0.83 SMN1; SMN2 (0.87) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL8309087 0.80 TSHR (1.00) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL2421458 0.80 TSHR (0.66) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL477633 0.78 SMN1; SMN2 (1.00) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL30476552 0.78 SMN1; SMN2 (1.00) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL477393 0.78 SMN1; SMN2 (1.00) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL30476558 0.78 SMN1; SMN2 (1.00) TSHRSMN1; SMN2GAACYP17A1LMNA
SCHEMBL28001042 0.78 SMN1; SMN2 (1.00) TSHRSMN1; SMN2GAACYP17A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-05 US disclosed
WO-2002078695-A1 THIAPORPHYRIN, SELENAPORPHYRIN, AND CAROTENOID PORPHYRIN COMPOUNDS AS C-MYC AND TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-10 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 (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-20030105130-A1 Thiaporphyrin, selenaporphyrin, and carotenoid porphyrin compounds as c-myc and telomerase inhibitors MYCBP, MYC, TERF2IP TSHR 1657/4885SMN1; SMN2 2626/4885GAA 4292/4885

“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.