SCHEMBL584196

SCHEMBL584196

Cc1cc(Cl)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.49
VCAM1 P19320 1/20 0.48
TSHR P16473 1/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2A6 P11509 1/20 0.44
IDH1 O75874 1/20 0.44
S1PR1 P21453 2/20 0.43
TRPV4 Q9HBA0 1/20 0.42
CYP3A4 P08684 1/20 0.41
AR P10275 1/20 0.41
GPR35 Q9HC97 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 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
Bicarbonate SCHEMBL28584252 0.89 S1PR3 (0.52) S1PR3VCAM1ALDH1A1KDM4ES1PR1
SCHEMBL10817523 0.87 S1PR3 (0.48) S1PR3VCAM1ALDH1A1KDM4EIDH1
SCHEMBL102792 0.82 TSHR (0.48) S1PR3VCAM1TSHRMAOAMAOB
SCHEMBL13307710 0.81 FFAR1 (0.53) VCAM1TSHRCYP2A6CYP3A4
SCHEMBL7050401 0.78 MAOA (0.61) VCAM1MAOAMAOBALDH1A1KDM4E
SCHEMBL31441456 0.78 MAOA (0.61) VCAM1MAOAMAOBALDH1A1KDM4E
SCHEMBL8404523 0.78 GPR35 (0.46) S1PR3VCAM1TSHRMAOAMAOB
SCHEMBL8269230 0.78 GPR35 (0.46) S1PR3VCAM1TSHRMAOAMAOB
SCHEMBL5127052 0.77 FFAR1 (0.43) S1PR3VCAM1TSHRALDH1A1KDM4E
SCHEMBL17404394 0.77 CYP3A4 (0.41) S1PR3TSHRALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132112-A1 COMPOUNDS CTXT PTY LTD (AU) 2026-05-14 US disclosed
EP-4077318-B1 BENZIMIDAZOLE DIMERS AS MODULATORS OF STING CTXT PTY LTD (AU) 2025-10-15 EP disclosed
US-12415785-B2 Compound modulators of sting CTXT PTY LTD (AU) 2025-09-16 US disclosed
US-20250263399-A1 CBL-B MODULATORS AND USES THEREOF SCHRÖDINGER, INC. 2025-08-21 US disclosed
US-12325697-B2 CBL-B modulators and uses thereof NIMBUS CLIO, INC. (US) 2025-06-10 US disclosed
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
WO-2024199457-A1 COMPOUND HAVING RING FUSED STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 苏州安赛隆医药科技有限公司 2024-10-03 WO disclosed
CN-118724903-A Compound with fused ring structure, its preparation method and use, and pharmaceutical composition and use 苏州安赛隆医药科技有限公司 2024-10-01 CN disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
EP-1178802-A1 CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-02-13 EP disclosed
WO-2000067755-A1 CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS MERCK & CO., INC. (US) 2000-11-16 WO disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4269834-A Copper complexes of isoquinazolines NAUTA WIJBE T 1981-05-26 US disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4029493-A Substituted phenoxybenzonitriles as herbicides MOBIL OIL CORPORATION (US) 1977-06-14 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 (5 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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 S1PR3 497/4885VCAM1 498/4885TSHR 4025/4885
US-20250263399-A1 CBL-B MODULATORS AND USES THEREOF CBLB, CBL, CBLC S1PR3 2418/4885VCAM1 3666/4885TSHR 3636/4885
US-12415785-B2 Compound modulators of sting STING1, IRF3, MAVS S1PR3 1630/4885VCAM1 2507/4885TSHR 4301/4885
US-20260132112-A1 COMPOUNDS STING1, IRF3, CGAS S1PR3 914/4885VCAM1 2109/4885TSHR 1389/4885
US-12325697-B2 CBL-B modulators and uses thereof CBLB, CBL, CBLC S1PR3 2418/4885VCAM1 3666/4885TSHR 3636/4885

“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.