SCHEMBL4877622

SCHEMBL4877622

O=C(Cn1nccn1)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 3/20 0.49
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL13292513 0.86 MAPT (0.55) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL315308 0.84 PKM (0.60) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL4886721 0.80 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL13182159 0.76 CYP1A2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL31544373 0.75 HDAC1 (0.53) POLBKMT2AMEN1CYP2D6GAA
SCHEMBL2607454 0.75 ALDH1A1 (0.71) NPC1RAB9AATMMAPTALDH1A1
SCHEMBL243932 0.74 KMT2A (0.59) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL10426355 0.73 FPR2 (0.57) SMN1; SMN2ATMMAPTPOLBKMT2A
SCHEMBL2098193 0.72 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL2098194 0.72 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 2757/4885ACHE 2805/4885BACE1 4036/4885

“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.