SCHEMBL2270306

SCHEMBL2270306

COB(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.40
NAPRT Q6XQN6 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2A6 P11509 1/20 0.38
RAB9A P51151 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL568870 0.85 ALDH1A1 (0.41) ALDH1A1KMT2ANAPRTKDM4ECYP1A2
SCHEMBL8131766 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ANAPRTKDM4ECYP1A2
SCHEMBL13712395 0.82 F7 (0.39) ALDH1A1KMT2ANAPRTKDM4ECYP1A2
SCHEMBL117564 0.80 F7 (0.38) ALDH1A1NAPRTKDM4ECYP1A2CYP3A4
SCHEMBL28011360 0.80 NAPRT (0.38) ALDH1A1KMT2ANAPRTKDM4ECYP1A2
SCHEMBL8515494 0.80 NAPRT (0.38) ALDH1A1KMT2ANAPRTKDM4ECYP1A2
Pyridine SCHEMBL29132336 0.80 ENPP2 (0.39) ALDH1A1KMT2ANAPRTCYP19A1
SCHEMBL1977767 0.80 CYP2A6 (0.40) ALDH1A1KMT2ANAPRTKDM4ECYP1A2
SCHEMBL3515822 0.79 CHRNB2 (0.38) ALDH1A1KMT2ANAPRTKDM4ECYP3A4
SCHEMBL3515821 0.79 ALDH1A1 (0.41) ALDH1A1KMT2ANAPRTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2015065336-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed
WO-2011088160-A2 NOVEL CYP17 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2011-07-21 WO disclosed
US-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 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 (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-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides CAT, LPO, GPX4 ALDH1A1 184/4885KMT2A 2682/4885NAPRT 1056/4885

“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.