SCHEMBL18291998

SCHEMBL18291998

CNCCCNc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.59
CYP1A2 P05177 1/20 0.56
HRH3 Q9Y5N1 2/20 0.54
CXCR4 P61073 1/20 0.52
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
APP P05067 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
DRD2 P14416 2/20 0.47
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL4719048 0.96 CYP2C19 (0.59) CYP2C19CYP1A2HRH3CXCR4FABP1
SCHEMBL1344396 0.89 CYP2C19 (0.62) CYP2C19CYP1A2HRH3CXCR4FABP1
Hydrochloric Acid SCHEMBL8177967 0.87 CYP2C19 (0.61) CYP2C19CYP1A2HRH3CXCR4FABP1
SCHEMBL10861718 0.86 CYP1A2 (0.66) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL9644591 0.84 CYP1A2 (0.63) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL10858528 0.84 CYP1A2 (0.63) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL2158846 0.83 CYP2C19 (0.61) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL30496433 0.83 CYP2C19 (0.61) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL3265804 0.82 CYP1A2 (0.70) CYP2C19CYP1A2CXCR4FABP1FABP6
SCHEMBL515358 0.81 CYP2C19 (0.59) CYP2C19CYP1A2CXCR4FABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-20160354468-A1 (BACTERIO)CHLOROPHYLL PHOTOSENSITIZERS FOR TREATMENT OF EYE DISEASES AND DISORDERS YEDA RES & DEV (IL) 2016-12-08 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-20160354468-A1 (BACTERIO)CHLOROPHYLL PHOTOSENSITIZERS FOR TREATMENT OF EYE DISEASES AND DISORDERS PPOX, PPIB, PPIA CYP2C19 3159/4885CYP1A2 4476/4885HRH3 4205/4885

“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.