SCHEMBL19781968

SCHEMBL19781968

Cc1cc(I)cc(-c2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
DRD4 P21917 1/20 0.41
TSPO P30536 1/20 0.41
ADORA1 P30542 1/20 0.41
DRD3 P35462 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
NOTUM Q6P988 1/20 0.39
MAPK14 Q16539 3/20 0.39
KIF11 P52732 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
EIF4H Q15056 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL15871973 0.84 MAPT (0.58) MAPTLMNANPC1RAB9AGAA
SCHEMBL12070457 0.84 MAPT (0.58) MAPTLMNANPC1RAB9AGAA
SCHEMBL11996127 0.84 MAPT (0.58) MAPTLMNANPC1RAB9AGAA
SCHEMBL15989356 0.84 MAPT (0.58) MAPTLMNANPC1RAB9AHDAC8
SCHEMBL27430947 0.82 MAPT (0.55) MAPTLMNANPC1RAB9AGAA
SCHEMBL23072542 0.82 TTR (0.36) RXRARXRB
SCHEMBL25813358 0.80 RXRA (0.42) RXRARXRB
SCHEMBL13782228 0.78 ALDH1A1 (0.41) MAPTLMNANPC1RAB9AADORA1
SCHEMBL19781967 0.77 CYP2A6 (0.54) MAPTLMNANPC1RAB9AADORA3
SCHEMBL21673127 0.77 KIF11 (0.55) MAPTLMNANPC1RAB9AGAA

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-10897014-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-19 US disclosed
US-20180019410-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-18 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-10897014-B2 Heterocyclic compound and organic light-emitting device including the same SUN2, CRY1, CRY2 MAPT 1106/4885LMNA 2994/4885NPC1 3104/4885
US-20180019410-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SUN2, CRY1, CRY2 MAPT 1106/4885LMNA 2994/4885NPC1 3104/4885

“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.