SCHEMBL7299077

SCHEMBL7299077

Cc1cccc(NC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
XBP1 P17861 1/20 0.48
FER P16591 1/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL11526598 0.98 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL12327882 0.94 HPGD (0.55) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL19251329 0.90 NPSR1 (0.50) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL3427795 0.86 KDM4E (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3768702 0.84 KDM4E (0.46) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL178394 0.82 MAPK1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL28645971 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL8989433 0.82 HTR6 (0.53) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL22399066 0.82 HPGD (0.48) NPC1RAB9ASMN1; SMN2HPGDALOX12
SCHEMBL19249016 0.82 HPGD (0.48) NPC1RAB9ASMN1; SMN2HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP claimed
US-20180118704-A1 COMPOUNDS FOR TREATING PARASITIC INFECTIONS UNIVERSITY OF MARYLAND, COLLEGE PARK 2018-05-03 US disclosed
US-4582897-A 2-AZO-4-SULFO-4-METHYLDIPHENYL SULFONE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed
EP-0042357-B1 AZO DYES, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1984-06-06 EP disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 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-20180118704-A1 COMPOUNDS FOR TREATING PARASITIC INFECTIONS CYC1, COX15, SLC40A1 NPC1 210/4885RAB9A 1985/4885SMN1; SMN2 4525/4885

“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.