SCHEMBL18876009

SCHEMBL18876009

CC(C)c1cc(C#N)c2sccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL31550253 0.87 CYP11B1 (0.35) XDHSLC22A12CYP1A2CYP3A4TSHR
SCHEMBL31550032 0.84 CYP11B1 (0.39) ALDH1A1POLB
SCHEMBL31550220 0.84 MCL1 (0.31) MCL1
SCHEMBL18876008 0.77 KDM4E (0.33) XDHSLC22A12ALDH1A1HPGDSMN1; SMN2
SCHEMBL31550159 0.76 CYP11B1 (0.36) SCN9AXDH
SCHEMBL31550067 0.76 PDE4A (0.33) ALDH1A1POLBRAB9ASMN1; SMN2TSHR
SCHEMBL31358105 0.75 CSNK2A1 (0.35) XDHSLC22A12ALDH1A1HPGD
SCHEMBL22400489 0.75 CSNK2A1 (0.35) XDHSLC22A12ALDH1A1HPGD
SCHEMBL18876014 0.75 LMNA (0.35)
SCHEMBL13054415 0.75 GABRA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 CN disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 MCL1 1275/4885SCN5A 3490/4885SCN9A 2320/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 MCL1 1275/4885SCN5A 3490/4885SCN9A 2320/4885

“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.