SCHEMBL22246722

SCHEMBL22246722

CCCCc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
NTRK1 P04629 8/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 1/20 0.58
MMP2 P08253 1/20 0.57
MMP13 P45452 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB3 P13945 1/20 0.57
NTRK2 Q16620 6/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL15685943 0.83 ALDH1A1 (0.74) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL6619432 0.77 ADRB3 (0.83) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL6619427 0.77 ADRB3 (0.83) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL9366172 0.77 SMN1; SMN2 (0.63) ALDH1A1MEN1POLBKMT2ATDP1
Bicarbonate SCHEMBL28244886 0.76 POLB (0.68) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL20103543 0.75 NTRK1 (0.84) NTRK1NTRK2NPC1RAB9A
SCHEMBL12409534 0.75 ALDH1A1 (0.67) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL379648 0.74 POLB (0.79) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL10035809 0.73 ALDH1A1 (0.64) ALDH1A1MEN1POLBKMT2ATDP1
Fluoride SCHEMBL28138824 0.73 POLB (0.77) ALDH1A1POLBSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ALDH1A1 4735/4885MEN1 1142/4885POLB 953/4885

“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.