SCHEMBL1885070

SCHEMBL1885070

CCCc1nc2cc(NCc3ccccc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AGTR1 P30556 1/20 0.41
▸ AGTR2 P50052 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
SCHEMBL1888311 0.91 GNRHR (0.46) GNRHRKDM4EMAPTALDH1A1NPC1
SCHEMBL1882734 0.83 ACSS2 (0.46) GNRHRKDM4EMAPTALDH1A1TSHR
SCHEMBL1891790 0.79 PPARG (0.40) KDM4EMAPTALDH1A1TSHRLMNA
SCHEMBL1885392 0.79 KDM4E (0.44) KDM4EALDH1A1TSHRHTTGAA
SCHEMBL1895599 0.79 PTPN2 (0.48) GNRHRKDM4EMAPTALDH1A1MEN1
SCHEMBL1890948 0.77 ACSS2 (0.48) GNRHRNPC1RAB9AGAAKMT2A
SCHEMBL1885462 0.77 KDM4E (0.39) GNRHRKDM4EMAPTALDH1A1TSHR
SCHEMBL1889802 0.76 LMNA (0.50) GNRHRKDM4EALDH1A1PKMTP53
SCHEMBL1885440 0.76 CNR2 (0.40) KDM4EMAPTALDH1A1LMNAAGTR1
SCHEMBL19714470 0.75 ALDH1A1 (0.56) KDM4EMAPTALDH1A1PKMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 — — US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 — — US disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 — — 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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 GNRHR 742/4885KDM4E 4800/4885MAPT 4765/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885KDM4E 4800/4885MAPT 4765/4885

“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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