SCHEMBL18554546

SCHEMBL18554546

O=C(O)c1nc2c(Cl)c(Br)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ PIN1 Q13526 2/20 0.40
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ CNR2 P34972 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ EGLN1 Q9GZT9 3/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL17109180 0.81 HRH4 (0.43) RHEBKDM4EHSD17B10PIN1CNR2
SCHEMBL31568976 0.73 ADORA1 (0.55) RHEBKDM4ECYP3A4CYP2C9HSD17B10
SCHEMBL7699544 0.73 ADORA1 (0.55) RHEBKDM4ECYP3A4CYP2C9HSD17B10
SCHEMBL17874276 0.71 KDM4E (0.47) RHEBKDM4ECYP3A4CYP2C9HSD17B10
SCHEMBL12271513 0.70 HRH4 (0.58) RHEBPIN1CNR2EGLN1HRH4
SCHEMBL2433662 0.69 MAPT (0.47) KDM4ECYP2C9HSD17B10MEN1ALDH1A1
SCHEMBL9589931 0.69 PIN1 (0.47) RHEBKDM4ECYP3A4CYP2C9HSD17B10
SCHEMBL8952887 0.68 KDM4E (0.62) KDM4EHPGD
SCHEMBL7646 0.68 KDM4E (0.46) KDM4EPIN1CNR2LMNAEGLN1
SCHEMBL24020380 0.67 HRH4 (0.58) RHEBCYP2C9PIN1EGLN1HRH4

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 RHEB 1458/4885KDM4E 4269/4885CYP3A4 3333/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH RHEB 1458/4885KDM4E 4269/4885CYP3A4 3333/4885

“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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