SCHEMBL18893301

SCHEMBL18893301

CC(C)Nc1ccccc1N=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
IDO1 P14902 2/20 0.40
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MALT1 Q9UDY8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 3/20 0.34

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
SCHEMBL13365306 0.81 PLK1 (0.41) LMNAALDH1A1ALOX12KDM4ESIGMAR1
SCHEMBL1028410 0.80 ALDH1A1 (0.45) LMNAALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL1032197 0.78 ALDH1A1 (0.35) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL2962223 0.77 TDP1 (0.57) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL8268456 0.76 KDM4E (0.43) TDP1IDO1LMNAALDH1A1L3MBTL1
SCHEMBL13365370 0.73 GRIN2D (0.32) LMNAALDH1A1ALOX12KDM4ESIGMAR1
SCHEMBL8854145 0.73 MDM4 (0.61) LMNAALDH1A1L3MBTL1RECQLHSD17B10
SCHEMBL683597 0.72 IDO1 (0.41) TDP1IDO1ALDH1A1ALOX15TSHR
SCHEMBL13365318 0.72 KEAP1 (0.36) ALDH1A1L3MBTL1ATM
SCHEMBL8743911 0.72 MEN1 (0.39) TDP1IDO1LMNAALDH1A1L3MBTL1

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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 TDP1 860/4885IDO1 1021/4885LMNA 2143/4885

“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.