SCHEMBL13183602

SCHEMBL13183602

Cc1ccc2nc(-c3ccc(C)s3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.67
▸ ALDH1A1 P00352 7/20 0.67
▸ NPC1 O15118 6/20 0.67
▸ HPGD P15428 6/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ TP53 P04637 5/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ NFKB2 Q00653 2/20 0.67
▸ RELA Q04206 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ METAP2 P50579 2/20 0.55
▸ METAP1 P53582 2/20 0.55
▸ GAA P10253 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ CBFB Q13951 1/20 0.52
▸ PKM P14618 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ ALOX5 P09917 1/20 0.50

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
SCHEMBL13183633 0.84 RAB9A (0.54) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL3336113 0.80 NPC1 (1.00) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL12082222 0.78 RAB9A (0.69) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL13599850 0.78 NPC1 (0.81) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL20677813 0.78 NPC1 (0.75) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL21087565 0.77 ALDH1A1 (0.57) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL26426691 0.76 ALDH1A1 (0.65) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL13183701 0.76 NPC1 (0.78) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL21976303 0.73 MAPT (0.80) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL276208 0.73 NPC1 (0.73) RAB9AALDH1A1NPC1HPGDSMN1; SMN2

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-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 — — US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — 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 (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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS RAB9A 3434/4885ALDH1A1 241/4885NPC1 242/4885

“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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