SCHEMBL23310017

SCHEMBL23310017

CCCc1cc(=O)n2nc(CNc3cccc(OC)c3)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
DCTPP1 Q9H773 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
ALPG P10696 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
ROCK2 O75116 1/20 0.38
GRK2 P25098 1/20 0.38
PIM1 P11309 1/20 0.38
NOS1 P29475 1/20 0.38
POLB P06746 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL23062752 0.87 ACKR3 (0.42) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23062732 0.86 KDM4E (0.41) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23310186 0.83 MAPT (0.41) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23271259 0.83 RAB9A (0.41) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23062819 0.81 SMN1; SMN2 (0.41) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23062720 0.81 KDM4E (0.39) IDH1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL23062809 0.81 BCAT2 (0.43) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23271256 0.81 SMN1; SMN2 (0.41) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23062777 0.80 UNG (0.41) ALDH1A1HPGDKDM4ERAB9AMAPK10
SCHEMBL23310020 0.79 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ERAB9AMAPK10

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-20210121465-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2021-04-29 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-20210121465-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE FECH, SLC40A1, TPI1 IDH1 117/4885DCTPP1 293/4885ALDH1A1 701/4885

“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.