SCHEMBL21787829

SCHEMBL21787829

COc1ccc(N(N)c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
ABCB1 P08183 1/20 0.49
BCR P11274 1/20 0.49
ADORA3 P0DMS8 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2A7 P20853 1/20 0.42
CYP3A7 P24462 1/20 0.42

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
SCHEMBL21787744 0.88 NPC1 (0.49) ABL1ABCB1BCRCA4BACE1
SCHEMBL21787990 0.88 NPC1 (0.49) ABL1ABCB1BCRCA4BACE1
SCHEMBL7626558 0.86 CA4 (0.54) CYP3A4CA4KMT2AHPGDKDM4E
Hydrochloric Acid SCHEMBL10791254 0.84 CA4 (0.52) CYP3A4CA4KMT2AHPGDKDM4E
SCHEMBL21763036 0.84 MAOA (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25058949 0.84 MAOA (0.48) HDAC4HDAC2HDAC8CYP3A4BACE1
SCHEMBL5675243 0.83 HSD17B2 (0.48) CYP3A4HSD17B1HSD17B2CA4ALDH1A1
SCHEMBL18960518 0.82 MAOA (0.50) HDAC4HDAC2HDAC8CYP3A4BACE1
SCHEMBL13222551 0.82 ABL1 (0.54) ABL1ABCB1BCRADORA3HDAC4
SCHEMBL10335914 0.81 ALDH1A1 (0.48) CYP3A4HSD17B1HSD17B2CA4ALDH1A1

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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP ABL1 851/4885ABCB1 370/4885BCR 2413/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 ABL1 1020/4885ABCB1 339/4885BCR 2533/4885

“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.