SCHEMBL4080073

SCHEMBL4080073

NC(=O)c1cccc(-c2ccc(CO)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.49
▸ PARP1 P09874 2/20 0.46
▸ SHMT1 P34896 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ MAP2K4 P45985 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.42
▸ BAZ2A Q9UIF9 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41

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
SCHEMBL4940681 0.80 IKBKB (0.56) PARP1HSD17B1HSD17B2PRKCIPRSS1
SCHEMBL30504326 0.79 ERN1 (0.53) PARP1TDP2
SCHEMBL3900981 0.78 CSNK2A1 (0.70) CSNK2A1NPC1TP53MAPTXBP1
SCHEMBL4078164 0.77 ERN1 (0.49) PARP1SHMT1TTKMAP2K4BAZ2B
SCHEMBL2734990 0.76 PRSS1 (0.66) PARP1MAPTHSD17B10PLA2G2AFOLH1
SCHEMBL17373230 0.76 PARP1 (0.51) PARP1SHMT1TTKMAP2K4BAZ2B
SCHEMBL28290676 0.75 TSHR (0.61) PARP1NPC1TP53MAPTRAB9A
SCHEMBL24196080 0.74 CHEK1 (0.44) CSNK2A1FOLH1TDP2AKR1C3AKR1C2
SCHEMBL30823544 0.74 PARP1 (0.46) PARP1SHMT1PRSS1PRSS2PRSS3
SCHEMBL13638255 0.74 AGXT (0.51) CSNK2A1NPC1TP53MAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 — — US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 — — US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 — — EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 — — US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 — — US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 CSNK2A1 298/4885PARP1 3117/4885SHMT1 4712/4885

“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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