SCHEMBL7946681

SCHEMBL7946681

O=C(Nc1nccs1)c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.56
▸ NPC1 O15118 8/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAPK8 P45983 1/20 0.54
▸ HSPA5 P11021 1/20 0.53
▸ HSPA8 P11142 1/20 0.53
▸ HSPA9 P38646 1/20 0.53
▸ HSPA2 P54652 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ CSNK2B P67870 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ CSNK2A3 Q8NEV1 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ METAP2 P50579 1/20 0.51
▸ METAP1 P53582 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SCD O00767 1/20 0.51

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
SCHEMBL29904457 0.84 HSPA5 (0.71) RAB9ANPC1MEN1KMT2AMAPK8
SCHEMBL8558332 0.84 HSPA5 (0.71) RAB9ANPC1MEN1KMT2AMAPK8
SCHEMBL7948709 0.76 RAB9A (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL29176359 0.73 RAB9A (0.60) RAB9ANPC1MEN1KMT2AMAPK8
SCHEMBL995829 0.72 NPC1 (1.00) RAB9ANPC1MEN1KMT2AHSPA5
Hydrochloric Acid SCHEMBL27594584 0.71 NPC1 (0.97) RAB9ANPC1MEN1KMT2AHSPA5
SCHEMBL11611642 0.71 RAB9A (0.57) RAB9ANPC1MEN1KMT2AMAPK8
SCHEMBL11509919 0.71 NPC1 (0.70) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL2656771 0.71 RAB9A (0.68) RAB9ANPC1MEN1KMT2AMAPK8
SCHEMBL6824972 0.71 NPC1 (0.52) RAB9ANPC1MEN1KMT2AALDH1A1

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
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 — — US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 — — US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 — — US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 — — US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 — — 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 RAB9A 2396/4885NPC1 69/4885MEN1 1362/4885

“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.

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