SCHEMBL11894876

SCHEMBL11894876

O=C(O)c1cc(Cl)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.48
▸ KDM4E B2RXH2 11/20 0.41
▸ ALDH1A1 P00352 10/20 0.41
▸ HPGD P15428 8/20 0.41
▸ SMN1; SMN2 Q16637 8/20 0.41
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40

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
SCHEMBL11895063 0.88 PARP1 (0.40) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11894745 0.87 KDM4E (0.55) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11894690 0.79 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11894887 0.79 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11894892 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL11895340 0.78 KDM4E (0.47) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11895582 0.77 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11894712 0.77 KDM4E (0.41) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11983634 0.75 PARP1 (0.39) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11894714 0.74 POLB (0.61) KDM4EALDH1A1HPGDKMT2AHSD17B10

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 PARP1 3986/4885KDM4E 2321/4885ALDH1A1 2046/4885

“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.

Send feedback