SCHEMBL25977938

SCHEMBL25977938

O=C(Cl)c1ccc2ccc(-c3ccccc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
PDE10A Q9Y233 1/20 0.44
GAA P10253 1/20 0.44
AR P10275 2/20 0.44
LDHA P00338 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
CTRC Q99895 1/20 0.42
DHODH Q02127 1/20 0.42
CYP2C9 P11712 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL4130697 0.89 ESR1 (0.46) CNR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4124819 0.87 SMN1; SMN2 (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31025344 0.87 SMN1; SMN2 (0.58) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL400411 0.85 SMN1; SMN2 (0.57) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25982626 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ARDHODH
SCHEMBL31212281 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ARDHODH
SCHEMBL3979063 0.84 SMN1; SMN2 (0.50) CNR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL31212328 0.84 HPGDS (0.50) CNR1KDM4E
SCHEMBL25982803 0.84 HPGDS (0.50) CNR1KDM4E
SCHEMBL18573223 0.82 AR (0.62) CNR1NPC1RAB9AKDM4ESMN1; 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-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA THERAPEUTICS, INC. 2025-05-08 US disclosed
CN-118974019-A Certain chemical entities, compositions and methods 瑞图恩制药公司 2024-11-15 CN disclosed
WO-2023150663-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA INC. (US) 2023-08-10 WO 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-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS IGF1R, IGFBP1, IGFBP2 CNR1 1469/4885NPC1 896/4885RAB9A 2227/4885

“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.