SCHEMBL21820443

SCHEMBL21820443

COC(=O)c1cc(Br)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
OPRK1 P41145 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR174 Q9BXC1 3/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21820442 1.00 HPGD (0.47) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL21808113 1.00 HPGD (0.47) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL29833061 1.00 HPGD (0.47) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL28904938 0.88 ALDH1A1 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28904936 0.88 ALDH1A1 (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21820526 0.82 NPC1 (0.44) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL21820416 0.82 NPC1 (0.44) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL21820575 0.77 ALDH1A1 (0.51) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL21820572 0.77 ALDH1A1 (0.51) HPGDMAPTKDM4EOPRK1CYP1A2
SCHEMBL29832662 0.77 ALDH1A1 (0.51) HPGDMAPTKDM4EOPRK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454524-B2 (r)-n-(4-(chlorodifluoromethoxy)phenyl)-2-(difluoromethyl)-1-(1-hydroxypropan-2-yl)-7-(pyrimidin-5-yl)-1H-benzo[d]imidazole-5-carboxamide, or a pharmaceutically acceptable salt or tautomer thereof, for treating certain leukemias TERNS PHARMACEUTICALS, INC. (US) 2025-10-28 US disclosed
US-20250276961-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. 2025-09-04 US disclosed
US-20250243184-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. 2025-07-31 US disclosed
US-12240835-B2 Substituted benzamides as intermediates in the synthesis of inhibitors of tyrosine kinase enzymatic activity TERNS PHARMACEUTICALS, INC. (US) 2025-03-04 US disclosed
US-20240101536-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS TERNS PHARMACEUTICALS, INC. 2024-03-28 US disclosed
CN-115448908-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-12-09 CN disclosed
CN-115215838-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-10-21 CN disclosed
CN-112770745-B Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-09-02 CN disclosed
CN-112770745-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2021-05-07 CN disclosed
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias Terns, Inc. (US) 2021-01-12 US disclosed
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2020-03-19 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 (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-12240835-B2 Substituted benzamides as intermediates in the synthesis of inhibitors of tyrosine kinase enzymatic activity ABL1, BCR, ABL2 HPGD 4229/4885MAPT 4351/4885KDM4E 1611/4885
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR HPGD 3856/4885MAPT 3993/4885KDM4E 1680/4885
US-20250276961-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR HPGD 3856/4885MAPT 3993/4885KDM4E 1680/4885
US-20250243184-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR HPGD 3856/4885MAPT 3993/4885KDM4E 1680/4885
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias ABL1, ABL2, BCR HPGD 3518/4885MAPT 4090/4885KDM4E 720/4885
US-12454524-B2 (r)-n-(4-(chlorodifluoromethoxy)phenyl)-2-(difluoromethyl)-1-(1-hydroxypropan-2-yl)-7-(pyrimidin-5-yl)-1H-benzo[d]imidazole-5-carboxamide, or a pharmaceutically acceptable salt or tautomer thereof, for treating certain leukemias ABL1, ABL2, BCR HPGD 3906/4885MAPT 263/4885KDM4E 1247/4885
US-20240101536-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR HPGD 3856/4885MAPT 3993/4885KDM4E 1680/4885

“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.