SCHEMBL18236256

SCHEMBL18236256

Cc1cccc(Nc2nc3ccccc3[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.63
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 1/20 0.56
PKM P14618 2/20 0.53
DDX3X O00571 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MPO P05164 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
LPAR2 Q9HBW0 1/20 0.49

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
SCHEMBL6037544 0.83 MEN1 (0.71) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30020996 0.82 MEN1 (0.75) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL239690 0.82 MEN1 (0.75) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1999901 0.82 AKR1C3 (0.63) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18415225 0.81 AKR1C3 (0.59) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18236211 0.80 ADORA2A (0.64) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1998435 0.79 AKR1C3 (0.60) AKR1C3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13058905 0.79 AKR1C3 (0.79) AKR1C3NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1998475 0.78 AKR1C3 (0.59) AKR1C3MEN1KMT2ADDX3XNTRK1
SCHEMBL18418447 0.78 MEN1 (0.57) AKR1C3NPC1RAB9ASMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
WO-2017015451-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-01-26 WO disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 AKR1C3 200/4885NPC1 607/4885RAB9A 1332/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 AKR1C3 267/4885NPC1 472/4885RAB9A 1062/4885

“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.