SCHEMBL21763095

SCHEMBL21763095

Cc1ccc(N(N)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15422262 0.89 CYP2C19 (0.48) MEN1KMT2ATDP1HPGDCYP2C19
SCHEMBL15372074 0.89 ALDH1A1 (0.50) MEN1KMT2ATDP1HPGDCYP2C19
SCHEMBL21763283 0.86 TAAR1 (0.48) TDP1CYP2C19ALDH1A1CYP3A4TAAR1
SCHEMBL18960516 0.86 TAAR1 (0.48) TDP1CYP2C19ALDH1A1CYP3A4TAAR1
SCHEMBL21763039 0.86 TAAR1 (0.48) TDP1CYP2C19ALDH1A1CYP3A4TAAR1
SCHEMBL9461295 0.83 ALDH1A1 (0.55) TDP1CYP2C19TSHRLMNAALOX12
SCHEMBL10109503 0.82 RAB9A (0.47) MEN1KMT2ARAB9ATDP1NPC1
SCHEMBL17702105 0.82 RAB9A (0.47) MEN1KMT2ARAB9ATDP1NPC1
SCHEMBL17702106 0.82 RAB9A (0.47) MEN1KMT2ARAB9ATDP1NPC1
SCHEMBL19479339 0.82 RAB9A (0.47) MEN1KMT2ARAB9ATDP1NPC1

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
US-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 US disclosed
EP-3650438-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-05-13 EP disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 US disclosed
EP-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 EP 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP MEN1 2154/4885KMT2A 1970/4885RAB9A 2267/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 MEN1 2274/4885KMT2A 1499/4885RAB9A 3462/4885

“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.