SCHEMBL3672185

SCHEMBL3672185

C[C@@H](NCc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
LMNA P02545 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTT P42858 1/20 0.46
CASR P41180 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
SMPD1 P17405 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL3672190 1.00 KMT2A (0.57) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL9674056 1.00 KMT2A (0.57) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL29864849 1.00 KMT2A (0.57) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL14540134 0.83 CASR (0.70) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL15131119 0.83 CASR (0.70) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL14099907 0.83 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL1305045 0.83 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL8851088 0.82 BCHE (0.57) KMT2AKDM4EALDH1A1TDP1SIGMAR1
SCHEMBL20495654 0.82 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11614832 0.80 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US claimed
US-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2023-04-06 US claimed
EP-4103544-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP claimed
EP-4103538-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP claimed
CN-115103829-A Method for preparing S-fluorobutachlor by resolving 2-bromobutyric acid 凯米诺瓦有限公司 2022-09-23 CN claimed
CN-115087632-A Preparation of S-fluorobutachlor by resolution of 2- (4-fluoro-3- (trifluoromethyl) phenoxy) butanoic acid 凯米诺瓦有限公司 2022-09-20 CN claimed
WO-2021161101-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 WO claimed
WO-2021161100-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 WO claimed
US-5097043-A Reaction of 3-acetylthio-2-methylpropionic acid with an optically active benzylamine E. R. SQUIBB & SONS, INC. (US) 1992-03-17 US claimed
US-5001251-A Optical resolution of DL-3-acylthio-2-methylpropanoic acid E. R. SQUIBB & SONS, INC. (US) 1991-03-19 US claimed
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
US-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2023-04-06 US disclosed
EP-4103538-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP disclosed
US-7728177-B2 Optically active 3-methylcyclopentadecanone and method for producing intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-01 US disclosed
US-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-05-14 US disclosed
EP-1884509-A1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF Takasago International Corporation (JP) 2008-02-06 EP disclosed
US-5097043-A Reaction of 3-acetylthio-2-methylpropionic acid with an optically active benzylamine E. R. SQUIBB & SONS, INC. (US) 1992-03-17 US disclosed
US-5001251-A Optical resolution of DL-3-acylthio-2-methylpropanoic acid E. R. SQUIBB & SONS, INC. (US) 1991-03-19 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 (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-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite CPN1, CAPN1, MCOLN1 KMT2A 2034/4885MEN1 212/4885KDM4E 2364/4885
US-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID RAC2, RAC1, RAC3 KMT2A 4474/4885MEN1 2294/4885KDM4E 4411/4885
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID RAC2, RAC1, RAC3 KMT2A 4178/4885MEN1 1417/4885KDM4E 4516/4885

“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.