SCHEMBL3451207

SCHEMBL3451207

O=C(O)CCN(c1nc2ccc(Cl)cc2s1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PPARD Q03181 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
CLK1 P49759 1/20 0.44
RAB9A P51151 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
Hydrochloric Acid SCHEMBL3453609 0.99 MAPT (0.48) MAPTCASP3SENP8SENP7SENP6
SCHEMBL13109481 0.80 CNR1 (0.44) NPC1RAB9A
SCHEMBL13109478 0.74 ITGB3 (0.49) MAPTSMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL13109480 0.74 FFAR4 (0.38) MAPK1ALDH1A1NPC1RAB9APTGDR2
SCHEMBL10564160 0.73 MAPT (0.53) MAPTPPARDSMN1; SMN2MAPK1NPSR1
SCHEMBL3452467 0.73 KDM4E (0.42) MAPTNPSR1TP53GAAALDH1A1
SCHEMBL13109479 0.73 CNR1 (0.35)
Hydrochloric Acid SCHEMBL3453962 0.72 KDM4E (0.41) MAPTNPSR1TP53GAAALDH1A1
SCHEMBL13109482 0.71 MEN1 (0.39) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL13109470 0.70 PTGDR2 (0.40) MAPTCASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MAPT 3732/4885CASP3 4006/4885SENP8 3977/4885

“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.