SCHEMBL13149786

SCHEMBL13149786

O=C(c1cccs1)N1CCN(c2ncccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
RECQL P46063 1/20 0.67
HSD17B10 Q99714 1/20 0.67
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
GAA P10253 4/20 0.62
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 1/20 0.57
NPC1 O15118 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56

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
SCHEMBL11293119 0.84 GAA (0.85) ALDH1A1HSD17B10SMN1; SMN2GAALMNA
SCHEMBL6651783 0.83 ALDH1A1 (0.70) ALDH1A1RECQLHSD17B10RAB9ASMN1; SMN2
SCHEMBL6650909 0.83 ALDH1A1 (0.70) ALDH1A1RECQLHSD17B10RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6652741 0.82 ALDH1A1 (0.68) ALDH1A1RECQLHSD17B10RAB9ASMN1; SMN2
SCHEMBL6653095 0.81 ALDH1A1 (0.67) ALDH1A1RAB9ASMN1; SMN2GAALMNA
Hypochlorous Acid SCHEMBL6652746 0.81 ALDH1A1 (0.67) ALDH1A1RAB9ASMN1; SMN2GAALMNA
SCHEMBL6663867 0.81 ALDH1A1 (0.67) ALDH1A1RAB9AGAALMNAMAPT
Hydrochloric Acid SCHEMBL6655268 0.80 ALDH1A1 (0.65) ALDH1A1RAB9ASMN1; SMN2GAALMNA
Hypochlorous Acid SCHEMBL6655275 0.79 ALDH1A1 (0.64) ALDH1A1RAB9ASMN1; SMN2GAALMNA
SCHEMBL10280045 0.78 GAA (0.74) ALDH1A1HSD17B10RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (3 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885RECQL 3157/4885HSD17B10 3294/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885RECQL 3157/4885HSD17B10 3294/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885RECQL 3157/4885HSD17B10 3294/4885

“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.