Sugi Predict

Sugi Predict / Compounds / SCHEMBL888874

SCHEMBL888874

SCHEMBL888874

Cc1nc2cc(C(C(=O)C(C)C)N(C)C)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ OGA O60502 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL753866 0.86 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8922089 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13747654 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8908294 0.83 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8927076 0.83 NPC1 (0.49) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13179179 0.80 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL19333995 0.79 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18731289 0.79 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL10052411 0.78 MAPT (0.33) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17541632 0.75 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 — — WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — 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 (8 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 RAB9A 3788/4885NPC1 273/4885SMN1; SMN2 3515/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L RAB9A 3990/4885NPC1 162/4885SMN1; SMN2 3511/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 RAB9A 3788/4885NPC1 273/4885SMN1; SMN2 3515/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RAB9A 3036/4885NPC1 36/4885SMN1; SMN2 4162/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS RAB9A 2463/4885NPC1 65/4885SMN1; SMN2 4352/4885

“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.