SCHEMBL17903535

SCHEMBL17903535

CCCCCNC(=O)/C(C#N)=C/c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ DNM1 Q05193 10/20 0.52
▸ EGFR P00533 8/20 0.52
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL23373820 0.83 KMT2A (0.46) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL10253234 0.82 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL24273040 0.82 KMT2A (0.45) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL16301931 0.81 EGFR (0.50) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL23373825 0.80 KMT2A (0.43) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL16353428 0.80 MEN1 (0.53) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL22295766 0.79 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL23373764 0.78 KMT2A (0.42) ALDH1A1HPGDSMN1; SMN2DNM1EGFR
SCHEMBL17903534 0.78 ALDH1A1 (0.45) ALDH1A1DNM1EGFRLMNAPOLB
SCHEMBL14540647 0.77 SLC16A3 (0.47) ALDH1A1HPGDEGFRKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160195519-A1 FLUORESCENT MOLECULAR ROTORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-07 — — 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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS DYNC1LI2, DNAH12, DYNLL2 ALDH1A1 3536/4885HPGD 4250/4885SMN1; SMN2 4781/4885

“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.

Send feedback