SCHEMBL19645458

SCHEMBL19645458

O=C=NC1CCCCCCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
EPHX1 P07099 1/20 0.60
HIF1A Q16665 1/20 0.60
APLNR P35414 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 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
SCHEMBL770478 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL18136465 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL2567809 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL13174777 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL8620 1.00
SCHEMBL1164134 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL12338087 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL12513617 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL15492354 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4
SCHEMBL16230018 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1HIF1AAPLNRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds ARRAY BIOPHARMA INC. (US) 2020-12-01 US disclosed
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2018-06-28 US disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 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 (2 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-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS RNMT, MTAP, GMPS ALDH1A1 3489/4885EPHX1 3160/4885HIF1A 742/4885
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds RNMT, MTAP, GMPS ALDH1A1 3489/4885EPHX1 3160/4885HIF1A 742/4885

“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.