SCHEMBL18104841

SCHEMBL18104841

C#CC(=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ELANE P08246 1/20 0.41
F2R P25116 1/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27933541 0.80 FABP4 (0.51) MEN1KMT2AF2RHPGDALDH1A1
SCHEMBL9579742 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28677921 0.76 KDM4E (0.54) NPC1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4806049 0.76 CES2 (0.60) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL30725459 0.76 CES2 (0.60) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL26978962 0.75 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12204783 0.74 ALDH1A1 (0.39) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19332963 0.74 CES2 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11643111 0.74 HPGD (0.46) SMN1; SMN2KMT2AELANEHPGDALDH1A1
SCHEMBL17244263 0.74 MAPT (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN claimed
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN disclosed
US-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2018-04-26 US disclosed
WO-2016153906-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2016-09-29 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-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES TYMS, RTCB, POLRMT NPC1 3101/4885RAB9A 3657/4885SMN1; SMN2 1604/4885

“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.