SCHEMBL675632

SCHEMBL675632

Clc1cc[nH]c2nc3ccccc3c1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 4/20 0.51
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
C1R P00736 3/20 0.41
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP1 P09874 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL2389719 0.74 GUSB (0.43) GUSBMAOAMAOBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7218019 0.72 GUSB (0.42) GUSBMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL1180188 0.68 NPC1 (0.47) GUSBMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL16008227 0.68 GUSB (1.00) GUSBALDH1A1MAPTLMNATNKS
SCHEMBL16415898 0.67 HTR6 (0.50) MAOAMAOBC1RHTR6KDM4E
SCHEMBL21660746 0.67 ALDH1A1 (0.55) GUSBMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL17047970 0.67 DCPS (0.43) MAOAALDH1A1SMN1; SMN2GPR55MAPT
SCHEMBL1502392 0.66 ALDH1A1 (0.62) MAOAMAOBALDH1A1SMN1; SMN2GPR55
SCHEMBL19856451 0.66 MAOA (0.56) GUSBMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL6822902 0.66 KDM4E (0.49) ALDH1A1SMN1; SMN2GPR55MAPTLMNA

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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 (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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 GUSB 4124/4885MAOA 4462/4885MAOB 4039/4885

“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.