SCHEMBL3374460

SCHEMBL3374460

[CH2]N(CCC)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
AOC3 Q16853 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
RORC P51449 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
BCHE P06276 1/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3371050 0.88 TSHR (0.45) TSHRALDH1A1AOC3SIGMAR1BCHE
SCHEMBL1535594 0.82 TSHR (0.54) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL1776018 0.81 TSHR (0.55) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL5943982 0.78 HTT (0.46) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL5944080 0.78 SMN1; SMN2 (0.43) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL8240347 0.77 HRH3 (0.61) TSHRALDH1A1AOC3HRH3CNR2
SCHEMBL330083 0.77 HRH3 (0.68) TSHRALDH1A1AOC3HRH3CNR2
SCHEMBL294642 0.77 TSHR (0.64) TSHRALDH1A1AOC3CARM1PRMT6
Hydrochloric Acid SCHEMBL17710415 0.76 HRH3 (0.65) TSHRALDH1A1AOC3HRH3CNR2
SCHEMBL172637 0.76 CARM1 (0.67) TSHRALDH1A1AOC3CARM1PRMT6

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-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
US-6514988-B1 A pregnancy controlling agent and a menstrual cycle controlling agent; useful as an agent of spawning promotion in fish TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-04 US disclosed
US-6187788-B1 THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI TSHR 1622/4885ALDH1A1 517/4885AOC3 928/4885

“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.