SCHEMBL3219798

SCHEMBL3219798

O=c1nc(NCCCl)cc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL4113139 0.81 ELANE (0.43) ALDH1A1
SCHEMBL3680113 0.81 POLB (0.41) ALDH1A1POLBCYP1A2CYP2D6CYP2C19
SCHEMBL6379848 0.81 ZAP70 (0.39) ALDH1A1HRH4
SCHEMBL10899344 0.80 ALDH1A1 (0.31) ALDH1A1POLBHRH4
SCHEMBL29509040 0.79 TLR8 (0.49) ALDH1A1
SCHEMBL3407144 0.79 HRH3 (0.50) ALDH1A1HRH4
SCHEMBL29509020 0.77 HCAR3 (0.43) ALDH1A1POLBCYP1A2CYP2D6CYP2C9
SCHEMBL6268986 0.77 HRH3 (0.31) ALDH1A1POLB
SCHEMBL8840758 0.77 HRH3 (0.45) ALDH1A1HRH4
SCHEMBL19692262 0.77 ALDH1A1 (0.33) ALDH1A1POLBADORA1ADORA2A

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
WO-2010021897-A1 NUCLEOSIDIC PHOSPHORAMIDITE CRYSTALLINE MATERIAL AND A PROCESS FOR PURIFYING THE SAME MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO disclosed
US-7057062-B2 Process for manufacturing purified phosphorodiamidite ISIS PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
CN-1646544-A Process for the preparation of purified diamidide phosphate ISIS PHARMACEUTICALS INC (US) 2005-07-27 CN disclosed
EP-1492800-A2 PROCESS FOR MANUFACTURING PURIFIED PHOSPHORODIAMIDITE ISIS PHARMACEUTICALS, INC. (US) 2005-01-05 EP disclosed
US-20030225284-A1 Process for manufacturing purified phosphorodiamidite IONIS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087130-A2 PROCESS FOR MANUFACTURING PURIFIED PHOSPHORODIAMIDITE ISIS PHARMACEUTICALS, INC. (US) 2003-10-23 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-20030225284-A1 Process for manufacturing purified phosphorodiamidite PHOSPHO1, PNP, OSGEP ALDH1A1 4819/4885POLB 417/4885CYP1A2 4585/4885

“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.