SCHEMBL9681622

SCHEMBL9681622

CCOC(=O)c1ccnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
HPGD P15428 2/20 0.57
TP53 P04637 1/20 0.56
ALOX12 P18054 1/20 0.56
PDE4D Q08499 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL5963082 0.89 ALDH1A1 (0.47) ALDH1A1HPGDTP53ALOX12PDE4D
SCHEMBL13624226 0.85 PDE4D (0.58) ALDH1A1HPGDTP53ALOX12PDE4D
SCHEMBL2358435 0.85 KMT2A (0.58) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL14711327 0.85 SLC5A1 (0.48) ALDH1A1HPGDPDE4DSMN1; SMN2MAPT
SCHEMBL6162675 0.85 TP53 (0.49) ALDH1A1HPGDTP53SMN1; SMN2KDM4E
SCHEMBL22800293 0.85 HTT (0.46) ALDH1A1HPGDTP53ALOX12PDE4D
SCHEMBL16111402 0.84 TDP1 (0.50) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL14973580 0.83 HPGD (0.46) ALDH1A1HPGDTP53ALOX12PDE4D
SCHEMBL18394893 0.83 TP53 (0.50) ALDH1A1HPGDTP53SMN1; SMN2KDM4E
SCHEMBL30599790 0.82 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-5082949-A Plant growth regulators, protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885HPGD 2346/4885TP53 1804/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885HPGD 2414/4885TP53 1368/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885HPGD 2346/4885TP53 1804/4885

“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.