SCHEMBL15730396

SCHEMBL15730396

Cc1cccc(-c2cc(C(F)(F)F)no2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.49
▸ NPC1 O15118 9/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SDHB P21912 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ CASP3 P42574 3/20 0.41
▸ SENP7 Q9BQF6 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ SENP8 Q96LD8 2/20 0.41

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
SCHEMBL31375610 0.81 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53SDHB
SCHEMBL28320114 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15723872 0.80 PTPN5 (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL17067047 0.80 NOTUM (0.40) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL12266910 0.78 CSF1R (0.49) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL17858736 0.75 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL15805892 0.75 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL17788469 0.73 GRM5 (0.45) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL13921154 0.73 NPC1 (0.73) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL12377809 0.73 HDAC6 (0.59) RAB9ANPC1SMN1; SMN2TP53MEN1

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAB9A 357/4885NPC1 2/4885SMN1; SMN2 3500/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAB9A 357/4885NPC1 2/4885SMN1; SMN2 3500/4885

“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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