SCHEMBL18025317

SCHEMBL18025317

COc1ccc(NC(=O)Nc2ccc3nonc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 1.00
MAPT P10636 10/20 1.00
NPC1 O15118 9/20 1.00
POLB P06746 5/20 1.00
SMN1; SMN2 Q16637 7/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
TP53 P04637 3/20 0.68
TSHR P16473 2/20 0.68
GAA P10253 1/20 0.67
LMNA P02545 1/20 0.61
PTPN7 P35236 1/20 0.58
KDM4E B2RXH2 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
HTT P42858 2/20 0.53
ESR2 Q92731 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52

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
SCHEMBL4555454 0.86 NPC1 (0.74) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL18025316 0.82 NPC1 (0.69) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL10220064 0.81 NPC1 (0.68) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL22092691 0.81 NPC1 (0.68) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL11092496 0.79 RAB9A (1.00) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL29802293 0.77 RAB9A (0.71) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL26932219 0.77 RAB9A (0.71) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL17628550 0.74 RAB9A (0.88) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL19427494 0.74 RAB9A (0.73) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL4118094 0.74 MAPT (0.75) RAB9AMAPTNPC1POLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT RAB9A 2490/4885MAPT 1631/4885NPC1 1310/4885

“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.