SCHEMBL12758406

SCHEMBL12758406

O=c1oc(-c2ccc(-c3nc4c(Cl)cc(Cl)cc4c(=O)o3)s2)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ C1R P00736 3/20 0.38
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ APEX1 P27695 2/20 0.36
▸ CTSG P08311 2/20 0.35
▸ KLK7 P49862 2/20 0.35
▸ KLK14 Q9P0G3 2/20 0.35
▸ KLK5 Q9Y337 2/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ HPGD P15428 4/20 0.35
▸ F2 P00734 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33

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
SCHEMBL914362 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EC1RMEN1KMT2A
SCHEMBL12352147 0.75 APEX1 (0.59) ALDH1A1KDM4EC1RMEN1KMT2A
SCHEMBL12758412 0.74 MEN1 (0.38) ALDH1A1KDM4EC1RMEN1KMT2A
SCHEMBL7191472 0.74 IKBKB (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22952939 0.73 KDM4E (0.45) ALDH1A1KDM4EC1RMEN1KMT2A
SCHEMBL12758394 0.73 ELANE (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL14417717 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EC1RMEN1KMT2A
SCHEMBL7193264 0.71 NOTUM (0.47) ALDH1A1KDM4EC1RHPGDSMN1; SMN2
SCHEMBL28841248 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL12758414 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EC1RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897761-B2 Heterocyclic compound FUJIFILM CORPORATION (JP) 2011-03-01 — — US disclosed
US-7897761-B2 Heterocyclic compound FUJIFILM CORPORATION (JP) 2011-03-01 — — US disclosed
US-20100004439-A1 Heterocyclic Compound FUJIFLM CORPORATION (JP) 2010-01-07 — — US disclosed
US-20100004439-A1 Heterocyclic Compound FUJIFLM CORPORATION (JP) 2010-01-07 — — 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-20100004439-A1 Heterocyclic Compound PTGER1, CYP1A1, ALOX12 ALDH1A1 1205/4885KDM4E 2305/4885C1R 959/4885

“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.

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