SCHEMBL21208463

SCHEMBL21208463

Clc1ccc2cc(Cl)c3nc4ccccc4n3c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.43
▸ KDM4E B2RXH2 9/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDE2A O00408 6/20 0.40
▸ PDE10A Q9Y233 6/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TYMS P04818 1/20 0.39
▸ CASP1 P29466 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL17254903 0.81 KDM4E (0.49) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL21208517 0.74 HPGD (0.40) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL21208437 0.71 ZAP70 (0.41) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL14496087 0.70 BCL2 (0.46) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL19786607 0.69 TYMS (0.60) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL20821410 0.65 KDM4E (0.55) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL13425232 0.64 RPA1 (0.49) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21208480 0.64 TYMS (0.47) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL14643519 0.64 HPGD (0.48) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL19960369 0.64 HPGD (0.58) HPGDKDM4EALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (2 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 HPGD 635/4885KDM4E 1957/4885ALDH1A1 1878/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HPGD 426/4885KDM4E 2839/4885ALDH1A1 3544/4885

“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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