SCHEMBL31298331

SCHEMBL31298331

COC(=O)c1ccn2cc(-c3c(F)cccc3Br)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A3 P47895 2/20 0.39
SUV39H2 Q9H5I1 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.36
HDAC1 Q13547 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALDH1A2 O94788 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL31298248 0.87 SUV39H2 (0.38) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31298263 0.87 ALDH1A1 (0.39) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31298258 0.85 NPC1 (0.42) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31190882 0.83 ALPL (0.40) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31091845 0.82 SUV39H2 (0.45) RAB9ANPC1MAPTALDH1A1ALDH1A3
SCHEMBL31298296 0.81 NPC1 (0.38) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31298233 0.80 PDK2 (0.46) RAB9ANPC1MAPTALDH1A1ALDH1A3
SCHEMBL31298353 0.79 SUV39H2 (0.43) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31091930 0.79 SUV39H2 (0.43) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL31298326 0.77 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1L3MBTL1KDM4E

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
EP-4698530-A1 NK3 MODULATORS AND USES THEREOF Kallyope, Inc. (US) 2026-02-25 EP disclosed
US-20250263410-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. 2025-08-21 US disclosed
US-12281114-B2 NK3 modulators and uses thereof KALLYOPE, INC. (US) 2025-04-22 US disclosed
WO-2024220539-A1 NK3 MODULATORS AND USES THEREOF KALLYOPE, INC. (US) 2024-10-24 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 (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-20250263410-A1 NK3 MODULATORS AND USES THEREOF TAC3, TACR3, TACR2 RAB9A 2411/4885NPC1 959/4885MAPT 4383/4885
US-12281114-B2 NK3 modulators and uses thereof TAC3, TACR3, TACR2 RAB9A 2411/4885NPC1 959/4885MAPT 4383/4885

“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.