SCHEMBL24065698

SCHEMBL24065698

CC(C)c1ncc(C(=O)I)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.34
APLNR P35414 1/20 0.33
DEGS1 O15121 1/20 0.33
HDAC6 Q9UBN7 7/20 0.32
HDAC1 Q13547 2/20 0.32
NAPRT Q6XQN6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
P4HA1 P13674 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL8528960 0.82 HCAR3 (0.36) HCAR3APLNRKDM4EALDH1A1ALOX15
SCHEMBL198067 0.80 ALDH1A1 (0.52) HCAR3NAPRTKDM4EALDH1A1ALOX15
SCHEMBL13119220 0.80 KCNJ1 (0.36) HCAR3APLNRKDM4EALDH1A1ALOX15
SCHEMBL1435924 0.78 NAPRT (0.36) HCAR3APLNRNAPRTKDM4EALDH1A1
SCHEMBL14865432 0.78 NNMT (0.45) KDM4E
SCHEMBL30445356 0.75 BAZ2B (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL22387737 0.75 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2
SCHEMBL1435071 0.75 MAPK1 (0.52) KDM4EALDH1A1POLB
SCHEMBL26421531 0.75 PDE9A (0.41) HCAR3APLNRHDAC6HDAC1KDM4E
SCHEMBL24925816 0.74 KDM4E (0.42) HCAR3HDAC6HDAC1KDM4EALDH1A1

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-20210371375-A1 hTERT MODULATORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-02 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-20210371375-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 HCAR3 1942/4885APLNR 1502/4885DEGS1 4488/4885

“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.