SCHEMBL6907075

SCHEMBL6907075

O=S1(=O)NCCc2cc(Br)cc3c2N1CC3

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
USP2 O75604 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PNMT P11086 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6906414 0.80 CA12 (0.43) NPSR1
SCHEMBL6906413 0.67 PARP10 (0.44) TSHRUSP2LMNASMN1; SMN2NPSR1
SCHEMBL17545387 0.62 CA12 (0.60) TSHRUSP2LMNASMN1; SMN2NPSR1
SCHEMBL6910914 0.62 CYP11B2 (0.54)
SCHEMBL31568175 0.61 CA1 (0.47) PARP10PARP11PNMTASIC3
SCHEMBL21577669 0.60 HTR2C (0.60) PNMTASIC3
SCHEMBL15433109 0.59 CRY1 (0.37)
SCHEMBL29876830 0.59 NPSR1 (0.38) TSHRUSP2LMNASMN1; SMN2NPSR1
SCHEMBL2346449 0.59 KMT2A (0.52) TSHRUSP2LMNASMN1; SMN2NPSR1
SCHEMBL18623582 0.58 PIK3C3 (0.53)

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-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 TSHR 3268/4885USP2 2851/4885LMNA 1359/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 TSHR 3029/4885USP2 3262/4885LMNA 1178/4885

“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.