SCHEMBL940303

SCHEMBL940303

O=C(CNC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ CYP3A4 P08684 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CES1 P23141 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 10/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2C9 P11712 3/20 0.45

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
SCHEMBL9777993 0.84 NPC1 (0.46) CYP3A4HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL23410286 0.84 PLOD2 (0.61) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL10592529 0.82 PLOD2 (0.39) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL14521488 0.81 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL6510425 0.81 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL19380935 0.80 TDP1 (0.55) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL9778037 0.79 EPHX2 (0.47) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL21774348 0.78 GSK3B (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL11216066 0.78 MEN1 (0.62) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL6513074 0.77 ALDH1A1 (0.47) MEN1KMT2ACYP3A4HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173859-B Method for synthesizing chiral alpha-amino alcohol compound 温州大学 2022-08-19 — — CN disclosed
CN-104326957-B Aminoacetophenone thiosemicarbazone derivative and application thereof 中国广州分析测试中心 2016-06-08 — — CN disclosed
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 — — US disclosed
US-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 — — US disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 — — EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 — — EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 — — US disclosed
US-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 — — US disclosed
US-7851635-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-12-14 — — US disclosed
US-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 — — US disclosed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 — — EP disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 — — US disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 — — US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 — — US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 — — EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 — — US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 — — US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 — — US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 — — EP disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 — — EP 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 (7 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 MEN1 2153/4885KMT2A 558/4885CYP3A4 2717/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B MEN1 3155/4885KMT2A 514/4885CYP3A4 4235/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 MEN1 2153/4885KMT2A 558/4885CYP3A4 2717/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B MEN1 3155/4885KMT2A 514/4885CYP3A4 4235/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 MEN1 2027/4885KMT2A 665/4885CYP3A4 2904/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 MEN1 2153/4885KMT2A 558/4885CYP3A4 2717/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B MEN1 3155/4885KMT2A 514/4885CYP3A4 4235/4885

“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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