SCHEMBL18554502

SCHEMBL18554502

Nc1cccc(C=Cc2nc3cccc(Cl)c3[nH]2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ POLB P06746 4/20 0.45
▸ SENP7 Q9BQF6 3/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ SENP6 Q9GZR1 2/20 0.45
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HPGD P15428 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ PKM P14618 3/20 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
SCHEMBL18554501 1.00 RAB9A (0.45) RAB9ANPC1POLBSENP7CASP3
SCHEMBL18554444 0.76 RAB9A (0.46) RAB9ANPC1POLBSENP7CASP3
SCHEMBL18554440 0.76 RAB9A (0.46) RAB9ANPC1POLBSENP7CASP3
SCHEMBL25368545 0.70 ALDH1A1 (0.44) RAB9ANPC1POLBSENP7CASP3
SCHEMBL6116948 0.69 RAB9A (0.40) RAB9ANPC1POLBSENP7CASP3
SCHEMBL10688322 0.68 RAB9A (0.49) RAB9ANPC1POLBSENP7CASP3
SCHEMBL5924246 0.67 TYMS (0.51) ALDH1A1MEN1KMT2APARP1TYMS
SCHEMBL31051335 0.66 RAB9A (0.61) RAB9ANPC1POLBSENP7CASP3
SCHEMBL6479916 0.66 RAB9A (0.61) RAB9ANPC1POLBSENP7CASP3
SCHEMBL537589 0.65 RAB9A (0.41) RAB9ANPC1POLBSENP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 — — EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 — — US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 — — US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — 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 (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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH RAB9A 2217/4885NPC1 1146/4885POLB 2594/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH RAB9A 2217/4885NPC1 1146/4885POLB 2594/4885

“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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