SCHEMBL2241014

SCHEMBL2241014

Fc1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HPGD P15428 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ AHR P35869 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL1129264 0.86 NPSR1 (0.39) NPSR1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL1835419 0.86 ALPL (0.51) HPGDCYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL2732982 0.82 ALDH1A1 (0.45) NPSR1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL1358509 0.80 HRH4 (0.41) NPSR1HPGDCYP1A2ALDH1A1HSD17B10
SCHEMBL2361268 0.79 NPSR1 (0.46) NPSR1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL20495123 0.79 GUSB (0.36) HPGDCYP2C19CYP1A2CYP2C9ALDH1A1
SCHEMBL4349193 0.79 KMT2A (0.41) NPSR1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL1509452 0.79 NOS1 (0.38) NPSR1HPGDCYP2C19CYP1A2ALDH1A1
SCHEMBL5773139 0.79 NOS1 (0.38) NPSR1HPGDCYP2C19CYP1A2CYP2C9
SCHEMBL1422562 0.78 KDM4E (0.45) NPSR1HPGDCYP2C19CYP1A2CYP2C9

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 — — EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 — — EP disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2020-08-27 — — US disclosed
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
EP-3557998-A1 COMPOUNS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2019-10-30 — — EP disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 — — WO disclosed
US-20110212973-A1 CARBAMATE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-01 — — US disclosed
EP-2351749-A1 CARBAMATE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-08-03 — — EP disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 — — CN disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 — — EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 — — US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 — — 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 (8 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 NPSR1 3974/4885HPGD 3099/4885CYP2C19 4668/4885
US-20110212973-A1 CARBAMATE COMPOUND OR SALT THEREOF FAAH, FAAH2, TRPV1 NPSR1 70/4885HPGD 682/4885CYP2C19 2295/4885
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 NPSR1 3974/4885HPGD 3099/4885CYP2C19 4668/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 NPSR1 3974/4885HPGD 3099/4885CYP2C19 4668/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 NPSR1 3997/4885HPGD 3800/4885CYP2C19 829/4885
US-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 NPSR1 157/4885HPGD 36/4885CYP2C19 684/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A NPSR1 481/4885HPGD 57/4885CYP2C19 800/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 NPSR1 3997/4885HPGD 3800/4885CYP2C19 829/4885

“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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