SCHEMBL630387

SCHEMBL630387

CC(=O)Nc1ccc(Cl)cc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
SERPINE1 P05121 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7224039 0.86 KDM4E (0.54) KDM4EHSD17B10ALDH1A1GAATDP1
SCHEMBL7573311 0.85 RAB9A (0.68) KDM4EHSD17B10RAB9ACYP1A2CYP2D6
SCHEMBL20827103 0.83 GPR35 (0.47) KDM4EHSD17B10RAB9ACYP1A2CYP2D6
SCHEMBL7223016 0.81 CYP2C9 (0.50) KDM4EHSD17B10RAB9ACYP1A2CYP2D6
SCHEMBL13899455 0.81 ALDH1A1 (0.47) KDM4EHSD17B10RAB9ACYP1A2CYP2C19
SCHEMBL31218216 0.81 ALDH1A1 (0.51) KDM4EHSD17B10RAB9ACYP1A2ALDH1A1
SCHEMBL7223569 0.81 ALDH1A1 (0.51) KDM4EHSD17B10RAB9ACYP1A2ALDH1A1
SCHEMBL3782005 0.80 KDM4E (0.68) KDM4EHSD17B10RAB9AALDH1A1MAPT
SCHEMBL22833467 0.79 GAA (0.46) KDM4ERAB9AALDH1A1GAATDP1
SCHEMBL29382210 0.79 GAA (0.46) KDM4ERAB9AALDH1A1GAATDP1

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
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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 (6 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 KDM4E 460/4885HSD17B10 1015/4885RAB9A 4205/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KDM4E 4019/4885HSD17B10 3100/4885RAB9A 2027/4885
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 KDM4E 4019/4885HSD17B10 3100/4885RAB9A 2027/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KDM4E 4019/4885HSD17B10 3100/4885RAB9A 2027/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KDM4E 4019/4885HSD17B10 3100/4885RAB9A 2027/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 KDM4E 4019/4885HSD17B10 3100/4885RAB9A 2027/4885

“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.