SCHEMBL316088

SCHEMBL316088

CC1CN(C(=S)Nc2ccc(Cl)cc2)CCN1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 5/20 0.57
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 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
SCHEMBL4884780 0.75 SMN1; SMN2 (0.62) POLBSMN1; SMN2LMNANPSR1HTT
SCHEMBL23747813 0.74 RAB9A (0.53) POLBMEN1KMT2ARAB9A
SCHEMBL14119932 0.73 LMNA (1.00) POLBSMN1; SMN2LMNANPSR1HTT
SCHEMBL26100428 0.72 MLNR (0.50) POLBALDH1A1MAPTHPGD
SCHEMBL4877647 0.72 SMN1; SMN2 (0.71) POLBSMN1; SMN2LMNANPSR1HTT
SCHEMBL314325 0.71 MAPT (0.61) POLBSMN1; SMN2LMNANPSR1HTT
SCHEMBL16178505 0.70 RAB9A (0.57) POLBSMN1; SMN2LMNANPSR1MEN1
SCHEMBL16178759 0.70 NPC1 (0.60) POLBSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL16649940 0.70 RAB9A (0.71) POLBSMN1; SMN2LMNAHTTMEN1
SCHEMBL8285767 0.69 MAPT (0.57) POLBSMN1; SMN2LMNANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 POLB 2941/4885SMN1; SMN2 3508/4885LMNA 2443/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 POLB 3375/4885SMN1; SMN2 4519/4885LMNA 1738/4885

“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.