SCHEMBL24995245

SCHEMBL24995245

CCOc1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ TP53 P04637 3/20 0.57
▸ XDH P47989 1/20 0.56
▸ NQO1 P15559 1/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ HSD17B10 Q99714 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MITF O75030 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
SCHEMBL26480230 0.85 CYP2C9 (0.59) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL19927633 0.85 CYP2C19 (0.51) ALDH1A1TP53SMN1; SMN2HPGDKDM4E
SCHEMBL21125363 0.83 L3MBTL1 (0.46) ALDH1A1TP53XDHSMN1; SMN2KDM4E
SCHEMBL25493962 0.83 L3MBTL1 (0.46) ALDH1A1TP53XDHSMN1; SMN2KDM4E
SCHEMBL21887689 0.79 NQO1 (0.64) ALDH1A1TP53XDHNQO1SMN1; SMN2
SCHEMBL22735832 0.79 MAOB (0.60) TP53CYP1A2MAPT
SCHEMBL17721292 0.79 RAB9A (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22044398 0.78 MAPT (0.64) ALDH1A1TP53XDHSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL21531561 0.78 RAB9A (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22529465 0.77 NQO1 (0.54) ALDH1A1TP53XDHNQO1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 — — US disclosed
WO-2023012437-A1 ANTIBODY-DRUG CONJUGATES MC SAF (FR) 2023-02-09 — — WO 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 (1 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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS SHBG, SERPINA6, F13B ALDH1A1 1165/4885TP53 1422/4885XDH 38/4885

“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.

Send feedback