SCHEMBL21820575

SCHEMBL21820575

COC(=O)c1cc(Br)c(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
OPRK1 P41145 1/20 0.46
HPGD P15428 2/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL21820572 1.00 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AOPRK1HPGD
SCHEMBL29832662 1.00 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AOPRK1HPGD
SCHEMBL28573263 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28573261 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL31520431 0.82 MEN1 (0.37) ALDH1A1MEN1KMT2AOPRK1HPGD
SCHEMBL21820524 0.82 NPC1 (0.45) ALDH1A1OPRK1HPGDMAPTKDM4E
SCHEMBL21820522 0.82 NPC1 (0.45) ALDH1A1OPRK1HPGDMAPTKDM4E
SCHEMBL21820442 0.77 HPGD (0.47) ALDH1A1MEN1KMT2AOPRK1HPGD
SCHEMBL21820443 0.77 HPGD (0.47) ALDH1A1MEN1KMT2AOPRK1HPGD
SCHEMBL21808113 0.77 HPGD (0.47) ALDH1A1MEN1KMT2AOPRK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101536-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS TERNS PHARMACEUTICALS, INC. 2024-03-28 US 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 (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-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR ALDH1A1 1027/4885MEN1 4346/4885KMT2A 220/4885
US-10889571-B2 Substituted benzoimidazoles and imidazo[4,5-c]pyridines for treating certain leukemias ABL1, ABL2, BCR ALDH1A1 497/4885MEN1 4682/4885KMT2A 230/4885
US-20240101536-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR ALDH1A1 1027/4885MEN1 4346/4885KMT2A 220/4885

“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.