SCHEMBL3919628

SCHEMBL3919628

CC(C)(C#N)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.43
SLC22A12 Q96S37 4/20 0.39
CUL4A Q13619 1/20 0.38
PGR P06401 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8763114 0.89 TSHR (0.39) ARSLC22A12ALDH1A1TDP1L3MBTL1
SCHEMBL10398225 0.83 AR (0.40) ARSLC22A12CUL4AALDH1A1POLB
SCHEMBL13439652 0.82 TDP1 (0.44) ARALDH1A1TDP1
Acetonitrile SCHEMBL28135292 0.81 AR (0.44) ARSLC22A12CUL4AALDH1A1POLB
SCHEMBL780814 0.78 ACHE (0.36) ARSLC22A12PGRALDH1A1POLB
SCHEMBL1605524 0.78 KCNN4 (0.41) ARSLC22A12ALDH1A1TDP1L3MBTL1
SCHEMBL30966621 0.78 ACHE (0.36) ARSLC22A12PGRALDH1A1POLB
SCHEMBL5642171 0.76 SLC6A2 (0.40) ARPGRALDH1A1
SCHEMBL3866351 0.76 CA2 (0.34) L3MBTL1
SCHEMBL3125324 0.76 TSHR (0.43) ARALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
WO-2023216063-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYL ACETONITRILE COMPOUND AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 EP disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 EP disclosed
CN-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 CN disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 US disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN disclosed
EP-2027096-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer HealthCare AG (DE) 2009-02-25 EP disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 WO disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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 (3 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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB AR 1705/4885SLC22A12 2531/4885CUL4A 812/4885
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B AR 638/4885SLC22A12 2541/4885CUL4A 1247/4885
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB AR 1996/4885SLC22A12 2712/4885CUL4A 970/4885

“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.