SCHEMBL9966933

SCHEMBL9966933

ClCCN1CCCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15462867 1.00 HRH3 (0.55) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL8023825 1.00
SCHEMBL19173238 1.00 HRH3 (0.55) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL11712553 1.00 HRH3 (0.55) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL12811 1.00
SCHEMBL224957 1.00 HRH3 (0.55) HRH3MAPTALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL9592 0.97 HRH3 (0.52) HRH3MAPTALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL227556 0.97 HRH3 (0.52) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL263561 0.97
Hypochlorous Acid SCHEMBL10439976 0.94 HRH3 (0.50) HRH3MAPTALDH1A1POLBL3MBTL1

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-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-07-27 US disclosed
EP-2651417-B1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES CALCHAN LTD (GB) 2016-11-30 EP disclosed
WO-2012080735-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-06-21 WO disclosed
US-4001214-A AMINOALKYL ETHERS OF 2,2'- AND 3,3'-DIHYDROXYBENZIL AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 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 (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-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 HRH3 3689/4885MAPT 960/4885ALDH1A1 2423/4885

“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.