SCHEMBL29918211

SCHEMBL29918211

COc1cc(N)c(C(=O)O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR4 Q13639 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
HTR3A P46098 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
SLC22A1 O15245 1/20 0.44
HTR3B O95264 1/20 0.44

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
SCHEMBL856225 1.00 GAA (0.58) GAANPC1KDM4EALDH1A1POLB
SCHEMBL7023175 0.93 GAA (0.58) GAANPC1KDM4EALDH1A1POLB
SCHEMBL24010000 0.86 GAA (0.58) GAANPC1KDM4EALDH1A1HTR4
SCHEMBL30288399 0.86 GAA (0.58) GAANPC1KDM4EALDH1A1HTR4
SCHEMBL5951822 0.86 GAA (0.58) GAANPC1KDM4EALDH1A1HPGD
SCHEMBL99019 0.86 GAA (0.73) GAANPC1ALDH1A1HTR4CYP1A2
SCHEMBL85946 0.85 KDM4E (0.69) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL7853424 0.84 GAA (0.76) GAANPC1KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL7442414 0.84 GAA (0.71) GAANPC1ALDH1A1HTR4CYP1A2
SCHEMBL217191 0.84 KDM4E (0.53) GAANPC1KDM4EALDH1A1POLB

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-12473291-B2 Benzodiazepine compound, preparation method therefor, and use thereof in medicine WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2025-11-18 US disclosed
CN-119977893-A Preparation method and application of sulfonamide compound for antagonizing NOD1 清华大学 2025-05-13 CN disclosed
US-20220324867-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2022-10-13 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 (2 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-20220324867-A1 BENZODIAZEPINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE GABRA1, GABRA4, GABRR1 GAA 4032/4885NPC1 3497/4885KDM4E 833/4885
US-12473291-B2 Benzodiazepine compound, preparation method therefor, and use thereof in medicine GABRA1, GABRA4, GABRR1 GAA 4032/4885NPC1 3497/4885KDM4E 833/4885

“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.