SCHEMBL29354545

SCHEMBL29354545

CCn1cc(C(=O)Nc2ccc(Oc3ccc(F)c(Cl)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX3 P56373 4/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL21395168 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL21394910 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL29356894 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL29355464 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL21394840 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL21384514 0.86 GCK (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL29357313 0.86 GCK (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL21394451 0.84 MAPT (0.46) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL29356581 0.84 MAPT (0.46) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL21394821 0.79 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NPC1 72/4885RAB9A 2129/4885SMN1; SMN2 13/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 NPC1 72/4885RAB9A 2129/4885SMN1; SMN2 13/4885

“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.